2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

C17H15Cl2N3OS — CID 2105377

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3OS/c18-12-3-1-11(2-4-12)7-8-20-16(23)10-24-17-21-14-6-5-13(19)9-15(14)22-17/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22)
InChIKeyQWQUUNXUSGEGAI-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.32
Rot. Bonds6

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 2105377) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID2105377
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3OS/c18-12-3-1-11(2-4-12)7-8-20-16(23)10-24-17-21-14-6-5-13(19)9-15(14)22-17/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22)
InChIKeyQWQUUNXUSGEGAI-UHFFFAOYSA-N
XLogP4.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 2105377) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is QWQUUNXUSGEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/c18-12-3-1-11(2-4-12)7-8-20-16(23)10-24-17-21-14-6-5-13(19)9-15(14)22-17/h1-6,9H,7-8,10H2,(H,20,23)(H,21,22).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 380.30 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 2105377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).