N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

C33H29ClN4O3 — CID 134083522

IUPACN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)c2nc3ccc(OC)cc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C33H29ClN4O3/c1-40-25-12-10-22(11-13-25)33(39)37-30(17-23-19-35-28-9-4-3-8-27(23)28)32-36-29-15-14-26(41-2)18-31(29)38(32)20-21-6-5-7-24(34)16-21/h3-16,18-19,30,35H,17,20H2,1-2H3,(H,37,39)
InChIKeyHYFDUUFOEWJYRH-UHFFFAOYSA-N
MW565.07 g/mol
LogP6.95
Rot. Bonds9

About N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (PubChem CID 134083522) has the molecular formula C33H29ClN4O3 and a molecular weight of 565.07 g/mol. Its IUPAC name is N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
PubChem CID134083522
Molecular FormulaC33H29ClN4O3
Molecular Weight565.07 g/mol
Exact Mass564.19
IUPAC NameN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)c2nc3ccc(OC)cc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C33H29ClN4O3/c1-40-25-12-10-22(11-13-25)33(39)37-30(17-23-19-35-28-9-4-3-8-27(23)28)32-36-29-15-14-26(41-2)18-31(29)38(32)20-21-6-5-7-24(34)16-21/h3-16,18-19,30,35H,17,20H2,1-2H3,(H,37,39)
InChIKeyHYFDUUFOEWJYRH-UHFFFAOYSA-N
XLogP6.95
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.07
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 134083490
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 24777944
N-[2-(1H-indol-3-yl)-1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134083679
N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 134083619
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]benzamide
CID 91160343
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]-2-phenylethyl]-4-methoxybenzamide
CID 134083587
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
CID 134083466
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 134083504
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 134083531
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
N-[1-[5-[1-amino-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenylethyl]acetamide
CID 77460849
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 68740263

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (CID 134083522) is N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)c2nc3ccc(OC)cc3n2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The InChIKey is HYFDUUFOEWJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClN4O3/c1-40-25-12-10-22(11-13-25)33(39)37-30(17-23-19-35-28-9-4-3-8-27(23)28)32-36-29-15-14-26(41-2)18-31(29)38(32)20-21-6-5-7-24(34)16-21/h3-16,18-19,30,35H,17,20H2,1-2H3,(H,37,39).
What are the key properties of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide has a molecular weight of 565.07 g/mol, XLogP of 6.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 134083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).