2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid

C16H12FN3O3 — CID 91645207

IUPAC2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C16H12FN3O3/c17-10-6-11(15-13(7-10)18-8-19-15)16(23)20-12-4-2-1-3-9(12)5-14(21)22/h1-4,6-8H,5H2,(H,18,19)(H,20,23)(H,21,22)
InChIKeyIRUVOULIOGKCPH-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.58
Rot. Bonds4

About 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid

2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 91645207) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID91645207
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C16H12FN3O3/c17-10-6-11(15-13(7-10)18-8-19-15)16(23)20-12-4-2-1-3-9(12)5-14(21)22/h1-4,6-8H,5H2,(H,18,19)(H,20,23)(H,21,22)
InChIKeyIRUVOULIOGKCPH-UHFFFAOYSA-N
XLogP2.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 75519838
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 154794509
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 176619767
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 75404720
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 138041845
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid (CID 91645207) is 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is IRUVOULIOGKCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-10-6-11(15-13(7-10)18-8-19-15)16(23)20-12-4-2-1-3-9(12)5-14(21)22/h1-4,6-8H,5H2,(H,18,19)(H,20,23)(H,21,22).
What are the key properties of 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid?
2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 313.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 91645207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).