2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid

C14H10FN3O2 — CID 121458679

IUPAC2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid
SMILESCn1c(-c2cncc(F)c2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C14H10FN3O2/c1-18-12-10(14(19)20)3-2-4-11(12)17-13(18)8-5-9(15)7-16-6-8/h2-7H,1H3,(H,19,20)
InChIKeyDGNYUIMEFGIABX-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.47
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid

2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid (PubChem CID 121458679) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid
PubChem CID121458679
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid
SMILESCn1c(-c2cncc(F)c2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C14H10FN3O2/c1-18-12-10(14(19)20)3-2-4-11(12)17-13(18)8-5-9(15)7-16-6-8/h2-7H,1H3,(H,19,20)
InChIKeyDGNYUIMEFGIABX-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyclopropyl-2-(5-fluoro-3-pyridinyl)benzimidazole-4-carboxylate
CID 121458681
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
N,3-dimethyl-2-pyridin-3-ylbenzimidazole-4-carboxamide
CID 66692352
3-methyl-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole-4-carboxylic acid
CID 87382828
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902
4,5-difluoro-2-(5-fluoro-3-pyridinyl)-1-methylbenzimidazole
CID 66693765
3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107530329
2-[3-[4-(1-adamantyl)anilino]phenyl]-3-methylbenzimidazole-4-carboxylic acid
CID 155133738
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 104786517

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid (CID 121458679) is 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid is Cn1c(-c2cncc(F)c2)nc2cccc(C(=O)O)c21.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid?
The InChIKey is DGNYUIMEFGIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-18-12-10(14(19)20)3-2-4-11(12)17-13(18)8-5-9(15)7-16-6-8/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid?
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 121458679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).