4-(6-methoxy-1H-benzimidazol-2-yl)benzoate

C15H11N2O3- — CID 86674000

IUPAC4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
SMILESCOc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c1-20-11-6-7-12-13(8-11)17-14(16-12)9-2-4-10(5-3-9)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyRLROTWDYIRNUNJ-UHFFFAOYSA-M
MW267.26 g/mol
LogP1.60
Rot. Bonds3

About 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate

4-(6-methoxy-1H-benzimidazol-2-yl)benzoate (PubChem CID 86674000) has the molecular formula C15H11N2O3- and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate.

Molecular Properties

Compound Name4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
PubChem CID86674000
Molecular FormulaC15H11N2O3-
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
SMILESCOc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1
InChIInChI=1S/C15H12N2O3/c1-20-11-6-7-12-13(8-11)17-14(16-12)9-2-4-10(5-3-9)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyRLROTWDYIRNUNJ-UHFFFAOYSA-M
XLogP1.60
TPSA78.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 118624494
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717501
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171
5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 118624693
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23831665
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate?
The IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate (CID 86674000) is 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate.
What is the SMILES notation for 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate?
The canonical SMILES for 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate is COc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate?
The InChIKey is RLROTWDYIRNUNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-6-7-12-13(8-11)17-14(16-12)9-2-4-10(5-3-9)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate?
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate has a molecular weight of 267.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 86674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).