3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

C164H174N38O5 — CID 158587236

IUPAC3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESC=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]cnc12.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]cnc12.Cc1nc2ccc(N3CCN(c4ccccc4)CC3CCC(N)=O)cc2[nH]1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]cnc12
InChIInChI=1S/C21H25N5O.3C21H21N5.2C20H23N5O.2C20H20N4O/c1-15-23-19-9-7-17(13-20(19)24-15)26-12-11-25(16-5-3-2-4-6-16)14-18(26)8-10-21(22)27;1-15(22)10-21-20(11-16-6-3-2-4-7-16)23-14-26(21)13-17-8-5-9-19-18(17)12-24-25-19;1-15(22)10-20-19(11-16-6-3-2-4-7-16)25-14-26(20)12-17-8-5-9-18-21(17)24-13-23-18;1-15(22)9-21-20(10-16-5-3-2-4-6-16)25-14-26(21)12-17-7-8-18-19(11-17)24-13-23-18;21-19(26)10-9-16-13-24(15-5-2-1-3-6-15)11-12-25(16)18-8-4-7-17-20(18)23-14-22-17;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-18-20(15-6-3-2-4-7-15)23-13-24(18)11-16-8-5-9-17-19(16)22-12-21-17;1-14(25)9-19-20(16-5-3-2-4-6-16)23-13-24(19)11-15-7-8-17-18(10-15)22-12-21-17/h2-7,9,13,18H,8,10-12,14H2,1H3,(H2,22,27)(H,23,24);2-9,12,14H,1,10-11,13,22H2,(H,24,25);2-9,13-14H,1,10-12,22H2,(H,23,24);2-8,11,13-14H,1,9-10,12,22H2,(H,23,24);1-8,14,16H,9-13H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,12-14,25H,10-11H2,1H3,(H,21,22);2-8,10,12-14,25H,9,11H2,1H3,(H,21,22)
InChIKeyHTZCERXGNFKCTN-UHFFFAOYSA-N
MW2757.46 g/mol
LogP24.92
Rot. Bonds43

About 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide

3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 158587236) has the molecular formula C164H174N38O5 and a molecular weight of 2757.46 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
PubChem CID158587236
Molecular FormulaC164H174N38O5
Molecular Weight2757.46 g/mol
Exact Mass2755.45
IUPAC Name3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide
SMILESC=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]cnc12.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]cnc12.Cc1nc2ccc(N3CCN(c4ccccc4)CC3CCC(N)=O)cc2[nH]1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]cnc12
InChIInChI=1S/C21H25N5O.3C21H21N5.2C20H23N5O.2C20H20N4O/c1-15-23-19-9-7-17(13-20(19)24-15)26-12-11-25(16-5-3-2-4-6-16)14-18(26)8-10-21(22)27;1-15(22)10-21-20(11-16-6-3-2-4-7-16)23-14-26(21)13-17-8-5-9-19-18(17)12-24-25-19;1-15(22)10-20-19(11-16-6-3-2-4-7-16)25-14-26(20)12-17-8-5-9-18-21(17)24-13-23-18;1-15(22)9-21-20(10-16-5-3-2-4-6-16)25-14-26(21)12-17-7-8-18-19(11-17)24-13-23-18;21-19(26)10-9-16-13-24(15-5-2-1-3-6-15)11-12-25(16)18-8-4-7-17-20(18)23-14-22-17;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-18-20(15-6-3-2-4-7-15)23-13-24(18)11-16-8-5-9-17-19(16)22-12-21-17;1-14(25)9-19-20(16-5-3-2-4-6-16)23-13-24(19)11-15-7-8-17-18(10-15)22-12-21-17/h2-7,9,13,18H,8,10-12,14H2,1H3,(H2,22,27)(H,23,24);2-9,12,14H,1,10-11,13,22H2,(H,24,25);2-9,13-14H,1,10-12,22H2,(H,23,24);2-8,11,13-14H,1,9-10,12,22H2,(H,23,24);1-8,14,16H,9-13H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,12-14,25H,10-11H2,1H3,(H,21,22);2-8,10,12-14,25H,9,11H2,1H3,(H,21,22)
InChIKeyHTZCERXGNFKCTN-UHFFFAOYSA-N
XLogP24.92
TPSA585.77 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.46
LogP ≤ 524.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-7-yl]-4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
CID 137156909
2-[5-[[3-[4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]indazol-1-yl]phenyl]methyl]-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
CID 139337759
N-[5-[3-[7-[3-[2-amino-3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridine-2-carboximidoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-4-hydroxycyclohexyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 145650615
2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol
CID 146262284
(2S)-3-methoxy-2-(3-methylphenyl)-1-[3-[2-[6-[(2S)-1-oxo-1-[3-[2-[6-[(2R)-1-oxo-1-(3-pyridin-4-yl-1,7-dihydroimidazo[4,5-f]indazol-6-yl)propan-2-yl]-2-pyridinyl]-4-pyridinyl]-1,7-dihydroimidazo[4,5-f]indazol-6-yl]propan-2-yl]-2-pyridinyl]-4-pyridinyl]-1,7-dihydroimidazo[4,5-f]indazol-6-yl]propan-1-one
CID 155073626
4-[2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 157071472
N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;1-[[5-[3-[7-(4-hydroxypiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;methane;1-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]piperidin-4-ol
CID 157090315
2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole
CID 157249175
CID 157287050
CID 157287050
N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 157338016
N-[5-[3-[7-[3-[(dimethylamino)methyl]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 157348149
N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;7-(3-fluorophenyl)-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 157362078

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The IUPAC name of 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide (CID 158587236) is 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide.
What is the SMILES notation for 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The canonical SMILES for 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]cnc12.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc2[nH]ncc12.CC(O)Cc1c(-c2ccccc2)ncn1Cc1ccc2nc[nH]c2c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc2[nH]cnc12.Cc1nc2ccc(N3CCN(c4ccccc4)CC3CCC(N)=O)cc2[nH]1.NC(=O)CCC1CN(c2ccccc2)CCN1c1ccc2nc[nH]c2c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc2[nH]cnc12.
What is the InChIKey of 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
The InChIKey is HTZCERXGNFKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.3C21H21N5.2C20H23N5O.2C20H20N4O/c1-15-23-19-9-7-17(13-20(19)24-15)26-12-11-25(16-5-3-2-4-6-16)14-18(26)8-10-21(22)27;1-15(22)10-21-20(11-16-6-3-2-4-7-16)23-14-26(21)13-17-8-5-9-19-18(17)12-24-25-19;1-15(22)10-20-19(11-16-6-3-2-4-7-16)25-14-26(20)12-17-8-5-9-18-21(17)24-13-23-18;1-15(22)9-21-20(10-16-5-3-2-4-6-16)25-14-26(21)12-17-7-8-18-19(11-17)24-13-23-18;21-19(26)10-9-16-13-24(15-5-2-1-3-6-15)11-12-25(16)18-8-4-7-17-20(18)23-14-22-17;21-20(26)9-7-17-13-24(15-4-2-1-3-5-15)10-11-25(17)16-6-8-18-19(12-16)23-14-22-18;1-14(25)10-18-20(15-6-3-2-4-7-15)23-13-24(18)11-16-8-5-9-17-19(16)22-12-21-17;1-14(25)9-19-20(16-5-3-2-4-6-16)23-13-24(19)11-15-7-8-17-18(10-15)22-12-21-17/h2-7,9,13,18H,8,10-12,14H2,1H3,(H2,22,27)(H,23,24);2-9,12,14H,1,10-11,13,22H2,(H,24,25);2-9,13-14H,1,10-12,22H2,(H,23,24);2-8,11,13-14H,1,9-10,12,22H2,(H,23,24);1-8,14,16H,9-13H2,(H2,21,26)(H,22,23);1-6,8,12,14,17H,7,9-11,13H2,(H2,21,26)(H,22,23);2-9,12-14,25H,10-11H2,1H3,(H,21,22);2-8,10,12-14,25H,9,11H2,1H3,(H,21,22).
What are the key properties of 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide?
3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2757.46 g/mol, XLogP of 24.92, 43 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-4-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;3-[3-(3H-benzimidazol-5-ylmethyl)-5-benzylimidazol-4-yl]prop-1-en-2-amine;1-[3-(1H-benzimidazol-4-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(3H-benzimidazol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(1H-benzimidazol-4-yl)-4-phenylpiperazin-2-yl]propanamide;3-[1-(3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide;3-[5-benzyl-3-(1H-indazol-4-ylmethyl)imidazol-4-yl]prop-1-en-2-amine;3-[1-(2-methyl-3H-benzimidazol-5-yl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 158587236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).