2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid

C24H20FN3O3 — CID 110165667

IUPAC2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
SMILESCc1nc2cc(C(=O)N(CC(=O)O)Cc3cccc(F)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H20FN3O3/c1-16-26-21-13-18(10-11-22(21)28(16)20-8-3-2-4-9-20)24(31)27(15-23(29)30)14-17-6-5-7-19(25)12-17/h2-13H,14-15H2,1H3,(H,29,30)
InChIKeyUVCWBLMCTORJNW-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.20
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid

2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid (PubChem CID 110165667) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
PubChem CID110165667
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
SMILESCc1nc2cc(C(=O)N(CC(=O)O)Cc3cccc(F)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H20FN3O3/c1-16-26-21-13-18(10-11-22(21)28(16)20-8-3-2-4-9-20)24(31)27(15-23(29)30)14-17-6-5-7-19(25)12-17/h2-13H,14-15H2,1H3,(H,29,30)
InChIKeyUVCWBLMCTORJNW-UHFFFAOYSA-N
XLogP4.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)ethyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165411
2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid
CID 110165516
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
2-[(1-benzyl-2-methylbenzimidazole-5-carbonyl)-[(4-bromo-2-fluorophenyl)methyl]amino]acetic acid
CID 110165651
2-[(2-chloro-4-fluorophenyl)methyl-(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]acetic acid
CID 155988172
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide
CID 27800536
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55656773
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
CID 58284883
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid (CID 110165667) is 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid is Cc1nc2cc(C(=O)N(CC(=O)O)Cc3cccc(F)c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid?
The InChIKey is UVCWBLMCTORJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-16-26-21-13-18(10-11-22(21)28(16)20-8-3-2-4-9-20)24(31)27(15-23(29)30)14-17-6-5-7-19(25)12-17/h2-13H,14-15H2,1H3,(H,29,30).
What are the key properties of 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid?
2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid has a molecular weight of 417.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 110165667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).