5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid

C17H14FN3O4 — CID 138041845

IUPAC5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2cc(F)cc3[nH]cnc23)cc1C(=O)O
InChIInChI=1S/C17H14FN3O4/c1-25-14-3-2-9(4-11(14)17(23)24)7-19-16(22)12-5-10(18)6-13-15(12)21-8-20-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyFEUSKEWDTVFKLJ-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.34
Rot. Bonds5

About 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid

5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid (PubChem CID 138041845) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
PubChem CID138041845
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)c2cc(F)cc3[nH]cnc23)cc1C(=O)O
InChIInChI=1S/C17H14FN3O4/c1-25-14-3-2-9(4-11(14)17(23)24)7-19-16(22)12-5-10(18)6-13-15(12)21-8-20-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyFEUSKEWDTVFKLJ-UHFFFAOYSA-N
XLogP2.34
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 112844532
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 75519838
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
CID 71920410
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid (CID 138041845) is 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid is COc1ccc(CNC(=O)c2cc(F)cc3[nH]cnc23)cc1C(=O)O.
What is the InChIKey of 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid?
The InChIKey is FEUSKEWDTVFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-25-14-3-2-9(4-11(14)17(23)24)7-19-16(22)12-5-10(18)6-13-15(12)21-8-20-13/h2-6,8H,7H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid?
5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid has a molecular weight of 343.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 138041845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).