2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole

C22H19ClN2S — CID 18878245

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClN2S/c1-16(17-7-3-2-4-8-17)25-21-10-6-5-9-20(21)24-22(25)15-26-19-13-11-18(23)12-14-19/h2-14,16H,15H2,1H3
InChIKeyAHLJZAAEFOHFNE-UHFFFAOYSA-N
MW378.93 g/mol
LogP6.59
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole

2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole (PubChem CID 18878245) has the molecular formula C22H19ClN2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
PubChem CID18878245
Molecular FormulaC22H19ClN2S
Molecular Weight378.93 g/mol
Exact Mass378.10
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H19ClN2S/c1-16(17-7-3-2-4-8-17)25-21-10-6-5-9-20(21)24-22(25)15-26-19-13-11-18(23)12-14-19/h2-14,16H,15H2,1H3
InChIKeyAHLJZAAEFOHFNE-UHFFFAOYSA-N
XLogP6.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-1-propan-2-ylbenzimidazole
CID 18878244
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole (CID 18878245) is 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole is CC(c1ccccc1)n1c(CSc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole?
The InChIKey is AHLJZAAEFOHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2S/c1-16(17-7-3-2-4-8-17)25-21-10-6-5-9-20(21)24-22(25)15-26-19-13-11-18(23)12-14-19/h2-14,16H,15H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole?
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole has a molecular weight of 378.93 g/mol, XLogP of 6.59, 5 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-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 18878245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).