5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

C13H14FN5 — CID 103592946

IUPAC5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1nccn1C
InChIInChI=1S/C13H14FN5/c1-8-5-11-10(6-9(8)14)17-13(15)19(11)7-12-16-3-4-18(12)2/h3-6H,7H2,1-2H3,(H2,15,17)
InChIKeyXKVBUOQWMWJIPF-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.85
Rot. Bonds2

About 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 103592946) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID103592946
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1nccn1C
InChIInChI=1S/C13H14FN5/c1-8-5-11-10(6-9(8)14)17-13(15)19(11)7-12-16-3-4-18(12)2/h3-6H,7H2,1-2H3,(H2,15,17)
InChIKeyXKVBUOQWMWJIPF-UHFFFAOYSA-N
XLogP1.85
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]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-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306721
5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 103593049
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (CID 103592946) is 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2Cc1nccn1C.
What is the InChIKey of 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is XKVBUOQWMWJIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-8-5-11-10(6-9(8)14)17-13(15)19(11)7-12-16-3-4-18(12)2/h3-6H,7H2,1-2H3,(H2,15,17).
What are the key properties of 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 259.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 103592946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).