2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate

C23H17N2O5- — CID 3584793

IUPAC2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate
SMILESCOc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1OC
InChIInChI=1S/C23H18N2O5/c1-29-19-12-11-14(13-20(19)30-2)21-24-17-9-5-6-10-18(17)25(21)22(26)15-7-3-4-8-16(15)23(27)28/h3-13H,1-2H3,(H,27,28)/p-1
InChIKeyCLUJMXFQLLSXMY-UHFFFAOYSA-M
MW401.40 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate

2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate (PubChem CID 3584793) has the molecular formula C23H17N2O5- and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate
PubChem CID3584793
Molecular FormulaC23H17N2O5-
Molecular Weight401.40 g/mol
Exact Mass401.11
IUPAC Name2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate
SMILESCOc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1OC
InChIInChI=1S/C23H18N2O5/c1-29-19-12-11-14(13-20(19)30-2)21-24-17-9-5-6-10-18(17)25(21)22(26)15-7-3-4-8-16(15)23(27)28/h3-13H,1-2H3,(H,27,28)/p-1
InChIKeyCLUJMXFQLLSXMY-UHFFFAOYSA-M
XLogP2.77
TPSA93.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
3-(3,4-dimethoxyphenyl)-1-(2-methylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
CID 3591138
1-(2-aminobenzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 112527953
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
(2-methoxy-4-methylsulfanylphenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 4635916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate (CID 3584793) is 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate is COc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate?
The InChIKey is CLUJMXFQLLSXMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18N2O5/c1-29-19-12-11-14(13-20(19)30-2)21-24-17-9-5-6-10-18(17)25(21)22(26)15-7-3-4-8-16(15)23(27)28/h3-13H,1-2H3,(H,27,28)/p-1.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate?
2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate has a molecular weight of 401.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)benzimidazole-1-carbonyl]benzoate is sourced from PubChem (CID 3584793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).