4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine

C12H16ClN3S — CID 113477819

IUPAC4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCSCCC(C)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C12H16ClN3S/c1-8(6-7-17-2)16-10-5-3-4-9(13)11(10)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyHPOWPVUKBJAHIJ-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine

4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine (PubChem CID 113477819) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
PubChem CID113477819
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCSCCC(C)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C12H16ClN3S/c1-8(6-7-17-2)16-10-5-3-4-9(13)11(10)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15)
InChIKeyHPOWPVUKBJAHIJ-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(4-methylsulfanylbutan-2-yl)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

4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113459022
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172
4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
CID 104837082
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 104838029
4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445
1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 113477822
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine (CID 113477819) is 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine is CSCCC(C)n1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is HPOWPVUKBJAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-8(6-7-17-2)16-10-5-3-4-9(13)11(10)15-12(16)14/h3-5,8H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 269.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113477819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).