2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid

C24H22N2O3 — CID 67629226

IUPAC2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
SMILESCOc1ccc(CC(=O)O)c2nc(C(C)(c3ccccc3)c3ccccc3)[nH]c12
InChIInChI=1S/C24H22N2O3/c1-24(17-9-5-3-6-10-17,18-11-7-4-8-12-18)23-25-21-16(15-20(27)28)13-14-19(29-2)22(21)26-23/h3-14H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFYKLRJKBQZCASR-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.55
Rot. Bonds6

About 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid

2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid (PubChem CID 67629226) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
PubChem CID67629226
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
SMILESCOc1ccc(CC(=O)O)c2nc(C(C)(c3ccccc3)c3ccccc3)[nH]c12
InChIInChI=1S/C24H22N2O3/c1-24(17-9-5-3-6-10-17,18-11-7-4-8-12-18)23-25-21-16(15-20(27)28)13-14-19(29-2)22(21)26-23/h3-14H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyFYKLRJKBQZCASR-UHFFFAOYSA-N
XLogP4.55
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
CID 22663413
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
CID 22663191
3-(7-methoxy-1H-indazol-4-yl)-3-phenylbutanamide
CID 90931792
2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 84641801
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
CID 22663333
2-ethyl-4,7-dimethoxy-1H-benzimidazole
CID 67341831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid (CID 67629226) is 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid is COc1ccc(CC(=O)O)c2nc(C(C)(c3ccccc3)c3ccccc3)[nH]c12.
What is the InChIKey of 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid?
The InChIKey is FYKLRJKBQZCASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-24(17-9-5-3-6-10-17,18-11-7-4-8-12-18)23-25-21-16(15-20(27)28)13-14-19(29-2)22(21)26-23/h3-14H,15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid?
2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid is sourced from PubChem (CID 67629226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).