5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine

C12H16FN3S — CID 103593126

IUPAC5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSC(C)Cn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C12H16FN3S/c1-7-4-11-10(5-9(7)13)15-12(14)16(11)6-8(2)17-3/h4-5,8H,6H2,1-3H3,(H2,14,15)
InChIKeyRKTSCUMMQJGPQU-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.82
Rot. Bonds3

About 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine

5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine (PubChem CID 103593126) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
PubChem CID103593126
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSC(C)Cn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C12H16FN3S/c1-7-4-11-10(5-9(7)13)15-12(14)16(11)6-8(2)17-3/h4-5,8H,6H2,1-3H3,(H2,14,15)
InChIKeyRKTSCUMMQJGPQU-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)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

2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazole
CID 103593965
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
5-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 103593049

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine (CID 103593126) is 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine is CSC(C)Cn1c(N)nc2cc(F)c(C)cc21.
What is the InChIKey of 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The InChIKey is RKTSCUMMQJGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-7-4-11-10(5-9(7)13)15-12(14)16(11)6-8(2)17-3/h4-5,8H,6H2,1-3H3,(H2,14,15).
What are the key properties of 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 103593126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).