5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine

C14H17BrFN3 — CID 107414278

IUPAC5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)C1
InChIInChI=1S/C14H17BrFN3/c1-8-2-3-9(4-8)7-19-13-6-11(16)10(15)5-12(13)18-14(19)17/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18)
InChIKeyQZMHEZAGLLNLKI-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.96
Rot. Bonds2

About 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine

5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine (PubChem CID 107414278) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
PubChem CID107414278
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
SMILESCC1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)C1
InChIInChI=1S/C14H17BrFN3/c1-8-2-3-9(4-8)7-19-13-6-11(16)10(15)5-12(13)18-14(19)17/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18)
InChIKeyQZMHEZAGLLNLKI-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)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-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828
5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 66087092
6-bromo-2-(1-chloroethyl)-5-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414410
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-(thiolan-2-ylmethyl)benzimidazol-2-amine
CID 80585657
5-bromo-6-fluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612265
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
5-chloro-6-fluoro-1-[2-(3-methylcyclohexyl)ethyl]benzimidazol-2-amine
CID 66079290
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 116738353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine (CID 107414278) is 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine is CC1CCC(Cn2c(N)nc3cc(Br)c(F)cc32)C1.
What is the InChIKey of 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine?
The InChIKey is QZMHEZAGLLNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-8-2-3-9(4-8)7-19-13-6-11(16)10(15)5-12(13)18-14(19)17/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18).
What are the key properties of 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine?
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 107414278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).