2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole

C26H21ClN2OS — CID 18878283

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(SCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2OS/c27-21-10-13-23(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-22-12-9-19-5-1-2-6-20(19)17-22/h1-14,17H,15-16,18H2
InChIKeyITIWPGZFIKYUMH-UHFFFAOYSA-N
MW444.99 g/mol
LogP7.21
Rot. Bonds7

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

2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (PubChem CID 18878283) has the molecular formula C26H21ClN2OS and a molecular weight of 444.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
PubChem CID18878283
Molecular FormulaC26H21ClN2OS
Molecular Weight444.99 g/mol
Exact Mass444.11
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESClc1ccc(SCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2OS/c27-21-10-13-23(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-22-12-9-19-5-1-2-6-20(19)17-22/h1-14,17H,15-16,18H2
InChIKeyITIWPGZFIKYUMH-UHFFFAOYSA-N
XLogP7.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.99
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18878269
2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18878293
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole (CID 18878283) is 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is Clc1ccc(SCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The InChIKey is ITIWPGZFIKYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2OS/c27-21-10-13-23(14-11-21)31-18-26-28-24-7-3-4-8-25(24)29(26)15-16-30-22-12-9-19-5-1-2-6-20(19)17-22/h1-14,17H,15-16,18H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole has a molecular weight of 444.99 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 18878283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).