N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

C35H35N7O3 — CID 70688503

About N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 70688503) has the molecular formula C35H35N7O3 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
• PubChem CID: 70688503
• Molecular Formula: C35H35N7O3
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.28
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
• SMILES: CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C35H35N7O3/c1-5-8-32-37-33-22(2)17-26(35(43)36-20-24-13-16-30(44-3)31(18-24)45-4)19-29(33)42(32)21-23-11-14-25(15-12-23)27-9-6-7-10-28(27)34-38-40-41-39-34/h6-7,9-19H,5,8,20-21H2,1-4H3,(H,36,43)(H,38,39,40,41)
• InChIKey: XTUYUCGJCJNQCG-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (CID 70688503) is N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?

The InChIKey is XTUYUCGJCJNQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O3/c1-5-8-32-37-33-22(2)17-26(35(43)36-20-24-13-16-30(44-3)31(18-24)45-4)19-29(33)42(32)21-23-11-14-25(15-12-23)27-9-6-7-10-28(27)34-38-40-41-39-34/h6-7,9-19H,5,8,20-21H2,1-4H3,(H,36,43)(H,38,39,40,41).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?

N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 601.71 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 70688503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).