2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid

C32H30N4O2 — CID 166675531

About 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid

2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 166675531) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

• Compound Name: 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
• PubChem CID: 166675531
• Molecular Formula: C32H30N4O2
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.24
• IUPAC Name: 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
• SMILES: CCCc1nc2c(C)cc(-c3nc4c([nH]3)CCC=C4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
• InChI: InChI=1S/C32H30N4O2/c1-3-8-29-35-30-20(2)17-23(31-33-26-11-6-7-12-27(26)34-31)18-28(30)36(29)19-21-13-15-22(16-14-21)24-9-4-5-10-25(24)32(37)38/h4-6,9-11,13-18H,3,7-8,12,19H2,1-2H3,(H,33,34)(H,37,38)
• InChIKey: OPQMEOUOJIRTHH-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid?

The IUPAC name of 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid (CID 166675531) is 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid.

What is the SMILES notation for 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid?

The canonical SMILES for 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid is CCCc1nc2c(C)cc(-c3nc4c([nH]3)CCC=C4)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.

What is the InChIKey of 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid?

The InChIKey is OPQMEOUOJIRTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-3-8-29-35-30-20(2)17-23(31-33-26-11-6-7-12-27(26)34-31)18-28(30)36(29)19-21-13-15-22(16-14-21)24-9-4-5-10-25(24)32(37)38/h4-6,9-11,13-18H,3,7-8,12,19H2,1-2H3,(H,33,34)(H,37,38).

What are the key properties of 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid?

2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 502.62 g/mol, XLogP of 7.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[6-(6,7-dihydro-1H-benzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 166675531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).