5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine

C14H10BrClFN3 — CID 66086491

IUPAC5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H10BrClFN3/c15-9-5-12-13(6-11(9)17)20(14(18)19-12)7-8-3-1-2-4-10(8)16/h1-6H,7H2,(H2,18,19)
InChIKeyCPAKYCBILHFKSM-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.22
Rot. Bonds2

About 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine

5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 66086491) has the molecular formula C14H10BrClFN3 and a molecular weight of 354.61 g/mol. Its IUPAC name is 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID66086491
Molecular FormulaC14H10BrClFN3
Molecular Weight354.61 g/mol
Exact Mass352.97
IUPAC Name5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H10BrClFN3/c15-9-5-12-13(6-11(9)17)20(14(18)19-12)7-8-3-1-2-4-10(8)16/h1-6H,7H2,(H2,18,19)
InChIKeyCPAKYCBILHFKSM-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82359162
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine (CID 66086491) is 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is CPAKYCBILHFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3/c15-9-5-12-13(6-11(9)17)20(14(18)19-12)7-8-3-1-2-4-10(8)16/h1-6H,7H2,(H2,18,19).
What are the key properties of 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 354.61 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66086491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).