1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

C21H16N2O3 — CID 4525945

IUPAC1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H16N2O3/c24-21(25)16-6-11-20-19(12-16)22-14-23(20)17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25)
InChIKeySKWAXTSMPNUADM-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 4525945) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID4525945
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H16N2O3/c24-21(25)16-6-11-20-19(12-16)22-14-23(20)17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25)
InChIKeySKWAXTSMPNUADM-UHFFFAOYSA-N
XLogP4.30
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
4-phenylmethoxybenzoic acid
CID 68896574
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid (CID 4525945) is 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is SKWAXTSMPNUADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-21(25)16-6-11-20-19(12-16)22-14-23(20)17-7-9-18(10-8-17)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,25).
What are the key properties of 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid?
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 4525945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).