5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine

C12H13ClFN3 — CID 114101070

IUPAC5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1
InChIInChI=1S/C12H13ClFN3/c1-12(2-3-12)6-17-10-5-8(14)7(13)4-9(10)16-11(17)15/h4-5H,2-3,6H2,1H3,(H2,15,16)
InChIKeyVPXZUWVNRIFYBY-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.21
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine

5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine (PubChem CID 114101070) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
PubChem CID114101070
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1
InChIInChI=1S/C12H13ClFN3/c1-12(2-3-12)6-17-10-5-8(14)7(13)4-9(10)16-11(17)15/h4-5H,2-3,6H2,1H3,(H2,15,16)
InChIKeyVPXZUWVNRIFYBY-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)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

6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848
5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
CID 114101190
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
CID 66112399
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)acetate
CID 66078295
6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 112741063
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
CID 114943244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine (CID 114101070) is 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine is CC1(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The InChIKey is VPXZUWVNRIFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-12(2-3-12)6-17-10-5-8(14)7(13)4-9(10)16-11(17)15/h4-5H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine has a molecular weight of 253.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114101070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).