3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid

C23H20N2O2 — CID 57260132

IUPAC3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-21-24-19-14-13-18(23(26)27)15-20(19)25(21)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3,(H,26,27)
InChIKeyVCHDYMGCWKUMHA-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.93
Rot. Bonds5

About 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid

3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid (PubChem CID 57260132) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
PubChem CID57260132
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-21-24-19-14-13-18(23(26)27)15-20(19)25(21)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3,(H,26,27)
InChIKeyVCHDYMGCWKUMHA-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763
2-ethyl-3-(1-methoxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 82773871
3-(1-cyclopropylbutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82773276
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
3-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106097995
3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 18680858
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 82790766
2-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole-5-carboxylic acid
CID 82774613

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid (CID 57260132) is 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is VCHDYMGCWKUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-21-24-19-14-13-18(23(26)27)15-20(19)25(21)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3,(H,26,27).
What are the key properties of 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid?
3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 57260132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).