2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid

C15H12FN3O2 — CID 82563097

IUPAC2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(NCc3ccccc3F)[nH]c2c1
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-1-3-10(11)8-17-15-18-12-6-5-9(14(20)21)7-13(12)19-15/h1-7H,8H2,(H,20,21)(H2,17,18,19)
InChIKeyPEHMXYMZKLECAE-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid

2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid (PubChem CID 82563097) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
PubChem CID82563097
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(NCc3ccccc3F)[nH]c2c1
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-1-3-10(11)8-17-15-18-12-6-5-9(14(20)21)7-13(12)19-15/h1-7H,8H2,(H,20,21)(H2,17,18,19)
InChIKeyPEHMXYMZKLECAE-UHFFFAOYSA-N
XLogP3.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82564583
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464
6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564742
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
3-[[2-[(2-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194431

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid (CID 82563097) is 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(NCc3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is PEHMXYMZKLECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-4-2-1-3-10(11)8-17-15-18-12-6-5-9(14(20)21)7-13(12)19-15/h1-7H,8H2,(H,20,21)(H2,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82563097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).