5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine

C13H10BrFN4 — CID 66087655

IUPAC5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccccn1
InChIInChI=1S/C13H10BrFN4/c14-9-5-11-12(6-10(9)15)19(13(16)18-11)7-8-3-1-2-4-17-8/h1-6H,7H2,(H2,16,18)
InChIKeyORVHHINYAXUPBZ-UHFFFAOYSA-N
MW321.15 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine (PubChem CID 66087655) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
PubChem CID66087655
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccccn1
InChIInChI=1S/C13H10BrFN4/c14-9-5-11-12(6-10(9)15)19(13(16)18-11)7-8-3-1-2-4-17-8/h1-6H,7H2,(H2,16,18)
InChIKeyORVHHINYAXUPBZ-UHFFFAOYSA-N
XLogP2.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-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

5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine (CID 66087655) is 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1Cc1ccccn1.
What is the InChIKey of 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is ORVHHINYAXUPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-9-5-11-12(6-10(9)15)19(13(16)18-11)7-8-3-1-2-4-17-8/h1-6H,7H2,(H2,16,18).
What are the key properties of 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 321.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 66087655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).