1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C102H120FN21O10S2 — CID 158679438

IUPAC1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESC=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(C#N)c1.C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(F)c1.CNC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C27H30N6O2.C26H30FN5O2.C25H31N5O3S.C24H29N5O3S/c1-18(20-8-6-7-19(15-20)17-28)30-27-31-23-16-21(11-12-24(23)33(27)14-13-25(29)34)26(35)32(2)22-9-4-3-5-10-22;1-17(18-7-6-8-20(27)15-18)29-26-30-22-16-19(11-12-23(22)32(26)14-13-24(28)33)25(34)31(2)21-9-4-3-5-10-21;1-26-22(31)11-6-14-30-20-13-12-17(24(33)29(2)18-8-4-3-5-9-18)16-19(20)27-25(30)28-23(32)21-10-7-15-34-21;1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6-8,11-12,15-16,22H,1,3-5,9-10,13-14H2,2H3,(H2,29,34)(H,30,31);6-8,11-12,15-16,21H,1,3-5,9-10,13-14H2,2H3,(H2,28,33)(H,29,30);7,10,12-13,15-16,18H,3-6,8-9,11,14H2,1-2H3,(H,26,31)(H,27,28,32);6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyIEXWVZOONITBQR-UHFFFAOYSA-N
MW1883.35 g/mol
LogP16.98
Rot. Bonds31

About 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 158679438) has the molecular formula C102H120FN21O10S2 and a molecular weight of 1883.35 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID158679438
Molecular FormulaC102H120FN21O10S2
Molecular Weight1883.35 g/mol
Exact Mass1881.90
IUPAC Name1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESC=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(C#N)c1.C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(F)c1.CNC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C27H30N6O2.C26H30FN5O2.C25H31N5O3S.C24H29N5O3S/c1-18(20-8-6-7-19(15-20)17-28)30-27-31-23-16-21(11-12-24(23)33(27)14-13-25(29)34)26(35)32(2)22-9-4-3-5-10-22;1-17(18-7-6-8-20(27)15-18)29-26-30-22-16-19(11-12-23(22)32(26)14-13-24(28)33)25(34)31(2)21-9-4-3-5-10-21;1-26-22(31)11-6-14-30-20-13-12-17(24(33)29(2)18-8-4-3-5-9-18)16-19(20)27-25(30)28-23(32)21-10-7-15-34-21;1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6-8,11-12,15-16,22H,1,3-5,9-10,13-14H2,2H3,(H2,29,34)(H,30,31);6-8,11-12,15-16,21H,1,3-5,9-10,13-14H2,2H3,(H2,28,33)(H,29,30);7,10,12-13,15-16,18H,3-6,8-9,11,14H2,1-2H3,(H,26,31)(H,27,28,32);6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyIEXWVZOONITBQR-UHFFFAOYSA-N
XLogP16.98
TPSA402.95 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001883.35
LogP ≤ 516.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10114123
N-cyclohexyl-N-methyl-1-(3-(methylamino)-3-oxopropyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10151831
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10288395
3-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-3H-benzo[d]imidazole-5-carboxamide
CID 44432432
1-[[(2R)-1-[(E)-2-cyano-4-methylpent-2-enoyl]pyrrolidin-2-yl]methyl]-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-(2,2-dimethylpropyl)benzimidazole-5-carboxamide
CID 90045270
1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(thiophene-4-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 44432426
N-[1-[(3R)-1-[(E)-2-cyano-4,4-dimethylpent-2-enoyl]pyrrolidin-3-yl]-5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 73330822
(R)-1-((1-(2-cyanoacetyl)pyrrolidin-2-yl)methyl)-2-(5-(difluoromethyl)-thiophene-2-carboxamido)-N-neopentyl-1H-benzo[d]imidazole-5-carboxamide
CID 90044227
1-[[1-(2-cyanoacetyl)pyrrolidin-2-yl]methyl]-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-(2,2-dimethylpropyl)benzimidazole-5-carboxamide
CID 90044229
1-[[1-[(E)-2-cyano-4-methylpent-2-enoyl]pyrrolidin-2-yl]methyl]-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-(2,2-dimethylpropyl)benzimidazole-5-carboxamide
CID 90044235
1-[[(2R)-1-[(E)-2-cyano-4,4-dimethylpent-2-enoyl]pyrrolidin-2-yl]methyl]-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-[(2S)-3,3-dimethylbutan-2-yl]benzimidazole-5-carboxamide
CID 90045261
N-[(2S)-1-[5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 118438613

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 158679438) is 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(C#N)c1.C=C(Nc1nc2cc(C(=O)N(C)C3CCCCC3)ccc2n1CCC(N)=O)c1cccc(F)c1.CNC(=O)CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is IEXWVZOONITBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C26H30FN5O2.C25H31N5O3S.C24H29N5O3S/c1-18(20-8-6-7-19(15-20)17-28)30-27-31-23-16-21(11-12-24(23)33(27)14-13-25(29)34)26(35)32(2)22-9-4-3-5-10-22;1-17(18-7-6-8-20(27)15-18)29-26-30-22-16-19(11-12-23(22)32(26)14-13-24(28)33)25(34)31(2)21-9-4-3-5-10-21;1-26-22(31)11-6-14-30-20-13-12-17(24(33)29(2)18-8-4-3-5-9-18)16-19(20)27-25(30)28-23(32)21-10-7-15-34-21;1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6-8,11-12,15-16,22H,1,3-5,9-10,13-14H2,2H3,(H2,29,34)(H,30,31);6-8,11-12,15-16,21H,1,3-5,9-10,13-14H2,2H3,(H2,28,33)(H,29,30);7,10,12-13,15-16,18H,3-6,8-9,11,14H2,1-2H3,(H,26,31)(H,27,28,32);6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31).
What are the key properties of 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 1883.35 g/mol, XLogP of 16.98, 31 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 158679438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).