1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole

C15H13ClN2S — CID 40517062

IUPAC1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2S/c1-19-15-17-13-4-2-3-5-14(13)18(15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyJPTHXBVNXGHZQB-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.46
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole

1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole (PubChem CID 40517062) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
PubChem CID40517062
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2S/c1-19-15-17-13-4-2-3-5-14(13)18(15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyJPTHXBVNXGHZQB-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
methyl 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 43814545
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole (CID 40517062) is 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole is CSc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The InChIKey is JPTHXBVNXGHZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-19-15-17-13-4-2-3-5-14(13)18(15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole?
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole has a molecular weight of 288.80 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 40517062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).