2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid

C15H11FN2O3 — CID 81288878

IUPAC2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1F
InChIInChI=1S/C15H11FN2O3/c1-21-13-7-8(2-4-10(13)16)14-17-11-5-3-9(15(19)20)6-12(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNQPFAYLTGZRBSD-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.08
Rot. Bonds3

About 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid

2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 81288878) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID81288878
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1F
InChIInChI=1S/C15H11FN2O3/c1-21-13-7-8(2-4-10(13)16)14-17-11-5-3-9(15(19)20)6-12(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNQPFAYLTGZRBSD-UHFFFAOYSA-N
XLogP3.08
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-3-(methoxymethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 46984084
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
1-[2-(4-amino-3-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 58408680
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid (CID 81288878) is 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid is COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is NQPFAYLTGZRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-21-13-7-8(2-4-10(13)16)14-17-11-5-3-9(15(19)20)6-12(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 81288878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).