1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole

C18H19ClN2S — CID 134083749

IUPAC1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H19ClN2S/c1-3-10-22-15-8-9-17-18(11-15)21(13(2)20-17)12-14-6-4-5-7-16(14)19/h4-9,11H,3,10,12H2,1-2H3
InChIKeySLLJGRUIEVCEEZ-UHFFFAOYSA-N
MW330.88 g/mol
LogP5.55
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole

1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole (PubChem CID 134083749) has the molecular formula C18H19ClN2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
PubChem CID134083749
Molecular FormulaC18H19ClN2S
Molecular Weight330.88 g/mol
Exact Mass330.10
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
SMILESCCCSc1ccc2nc(C)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H19ClN2S/c1-3-10-22-15-8-9-17-18(11-15)21(13(2)20-17)12-14-6-4-5-7-16(14)19/h4-9,11H,3,10,12H2,1-2H3
InChIKeySLLJGRUIEVCEEZ-UHFFFAOYSA-N
XLogP5.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.88
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
CID 134083751
2-(2,5-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-propylsulfanylbenzimidazole
CID 134084039
1-[(2-fluorophenyl)methyl]-2-(2-methylpropyl)-6-propylsulfanylbenzimidazole
CID 134084026
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
2-(2,4-dichlorophenyl)-1-hexyl-6-propylsulfanylbenzimidazole
CID 134084050
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-hexyl-2-(4-phenylphenyl)-6-propylsulfanylbenzimidazole
CID 134084042
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
1-hexyl-2-(2-methylphenyl)-6-propylsulfanylbenzimidazole
CID 134084052
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
CID 134084077
1-[(2,5-dichlorophenyl)methyl]-6-methoxy-2-methylbenzimidazole
CID 90027577

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole (CID 134083749) is 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole is CCCSc1ccc2nc(C)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole?
The InChIKey is SLLJGRUIEVCEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2S/c1-3-10-22-15-8-9-17-18(11-15)21(13(2)20-17)12-14-6-4-5-7-16(14)19/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole?
1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole has a molecular weight of 330.88 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole is sourced from PubChem (CID 134083749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).