3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene

C219H75N9O7 — CID 160944469

IUPAC3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene
SMILESC.C.C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCC(=O)NCCCn1ccnc1.CCC(=O)OC.CO.COC(=O)c1cccc(C(=O)NCCCn2ccnc2)c1.NCCCn1ccnc1
InChIInChI=1S/C180H4.C15H17N3O3.C9H15N3O.C6H11N3.C4H8O2.CH4O.4CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-21-15(20)13-5-2-4-12(10-13)14(19)17-6-3-8-18-9-7-16-11-18;1-2-9(13)11-4-3-6-12-7-5-10-8-12;7-2-1-4-9-5-3-8-6-9;1-3-4(5)6-2;1-2;;;;/h1-2H2;2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,19);5,7-8H,2-4,6H2,1H3,(H,11,13);3,5-6H,1-2,4,7H2;3H2,1-2H3;2H,1H3;4*1H4
InChIKeySUXWXIUVYPAVPV-UHFFFAOYSA-N
MW2944.06 g/mol
LogP33.65
Rot. Bonds15

About 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene

3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene (PubChem CID 160944469) has the molecular formula C219H75N9O7 and a molecular weight of 2944.06 g/mol. Its IUPAC name is 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene.

Molecular Properties

Compound Name3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene
PubChem CID160944469
Molecular FormulaC219H75N9O7
Molecular Weight2944.06 g/mol
Exact Mass2941.58
IUPAC Name3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene
SMILESC.C.C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCC(=O)NCCCn1ccnc1.CCC(=O)OC.CO.COC(=O)c1cccc(C(=O)NCCCn2ccnc2)c1.NCCCn1ccnc1
InChIInChI=1S/C180H4.C15H17N3O3.C9H15N3O.C6H11N3.C4H8O2.CH4O.4CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-21-15(20)13-5-2-4-12(10-13)14(19)17-6-3-8-18-9-7-16-11-18;1-2-9(13)11-4-3-6-12-7-5-10-8-12;7-2-1-4-9-5-3-8-6-9;1-3-4(5)6-2;1-2;;;;/h1-2H2;2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,19);5,7-8H,2-4,6H2,1H3,(H,11,13);3,5-6H,1-2,4,7H2;3H2,1-2H3;2H,1H3;4*1H4
InChIKeySUXWXIUVYPAVPV-UHFFFAOYSA-N
XLogP33.65
TPSA210.51 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002944.06
LogP ≤ 533.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene with MolForge

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Related Compounds

Methyl 3-[(1-benzylimidazol-2-yl)carbamoyl]benzoate
CID 47067145
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-(3-imidazol-1-ylpropylamino)butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 69323193
[3-Amino-4-(3,5-difluorophenyl)-1-(3-imidazol-1-ylpropylamino)butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate
CID 69323196
Methyl 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]benzoate
CID 55759879
Methyl 3-[(3-imidazol-1-ylpropylamino)methyl]-5-(trifluoromethyl)benzoate
CID 167982950
Methyl 4-[[2-[1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 126464237
Methyl 3-[(dipropylamino)carbonyl]-5-(1H-imidazol-2-yl)benzoate
CID 21086171
Methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate
CID 58975383
methyl 3-[[1H-imidazol-2-ylmethyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]benzoate
CID 69025195
Methyl 3-[[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]methyl]benzoate
CID 69027543
3-[[2-[[2-[1-[3-[8-(2-Methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]ethylamino]methyl]imidazol-1-yl]methyl]benzoic acid
CID 140545704
carbanide;1-[4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]phenyl]-N-methylmethanamine;4-[dibutyl-[(3-ethylimidazol-1-ium-1-yl)methyl]stannyl]-N-(2-piperidin-1-ylethyl)benzamide;ethyl 3-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]benzoate
CID 157739283

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene?
The IUPAC name of 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene (CID 160944469) is 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene.
What is the SMILES notation for 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene?
The canonical SMILES for 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene is C.C.C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CCC(=O)NCCCn1ccnc1.CCC(=O)OC.CO.COC(=O)c1cccc(C(=O)NCCCn2ccnc2)c1.NCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene?
The InChIKey is SUXWXIUVYPAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H4.C15H17N3O3.C9H15N3O.C6H11N3.C4H8O2.CH4O.4CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-21-15(20)13-5-2-4-12(10-13)14(19)17-6-3-8-18-9-7-16-11-18;1-2-9(13)11-4-3-6-12-7-5-10-8-12;7-2-1-4-9-5-3-8-6-9;1-3-4(5)6-2;1-2;;;;/h1-2H2;2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,19);5,7-8H,2-4,6H2,1H3,(H,11,13);3,5-6H,1-2,4,7H2;3H2,1-2H3;2H,1H3;4*1H4.
What are the key properties of 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene?
3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene has a molecular weight of 2944.06 g/mol, XLogP of 33.65, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)propanamide;methane;methanol;methyl 3-(3-imidazol-1-ylpropylcarbamoyl)benzoate;methyl propanoate;octacontahecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179-nonaheptacontahectaene is sourced from PubChem (CID 160944469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).