5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole

C11H13ClN2S — CID 52644652

IUPAC5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
SMILESCC(C)Sc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C11H13ClN2S/c1-7(2)15-11-13-9-6-8(12)4-5-10(9)14(11)3/h4-7H,1-3H3
InChIKeyOKIJPRCGNOKLKR-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.73
Rot. Bonds2

About 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole

5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole (PubChem CID 52644652) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
PubChem CID52644652
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
SMILESCC(C)Sc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C11H13ClN2S/c1-7(2)15-11-13-9-6-8(12)4-5-10(9)14(11)3/h4-7H,1-3H3
InChIKeyOKIJPRCGNOKLKR-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole (CID 52644652) is 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole is CC(C)Sc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole?
The InChIKey is OKIJPRCGNOKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-7(2)15-11-13-9-6-8(12)4-5-10(9)14(11)3/h4-7H,1-3H3.
What are the key properties of 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole?
5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole has a molecular weight of 240.76 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole is sourced from PubChem (CID 52644652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).