2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

C24H23ClN2S — CID 18878257

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCC(C)c1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2S/c1-17(2)19-9-7-18(8-10-19)15-27-23-6-4-3-5-22(23)26-24(27)16-28-21-13-11-20(25)12-14-21/h3-14,17H,15-16H2,1-2H3
InChIKeyVLXNCLWHYPBCSI-UHFFFAOYSA-N
MW406.98 g/mol
LogP7.15
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (PubChem CID 18878257) has the molecular formula C24H23ClN2S and a molecular weight of 406.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
PubChem CID18878257
Molecular FormulaC24H23ClN2S
Molecular Weight406.98 g/mol
Exact Mass406.13
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCC(C)c1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2S/c1-17(2)19-9-7-18(8-10-19)15-27-23-6-4-3-5-22(23)26-24(27)16-28-21-13-11-20(25)12-14-21/h3-14,17H,15-16H2,1-2H3
InChIKeyVLXNCLWHYPBCSI-UHFFFAOYSA-N
XLogP7.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.98
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
2-[(4-chlorophenyl)sulfanylmethyl]-1-propan-2-ylbenzimidazole
CID 18878244
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18878293
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (CID 18878257) is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is CC(C)c1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The InChIKey is VLXNCLWHYPBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2S/c1-17(2)19-9-7-18(8-10-19)15-27-23-6-4-3-5-22(23)26-24(27)16-28-21-13-11-20(25)12-14-21/h3-14,17H,15-16H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole has a molecular weight of 406.98 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18878257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).