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

C18H18ClN3OS — CID 71905305

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H18ClN3OS/c1-11-5-3-4-6-14(11)12(2)20-17(23)10-24-18-21-15-8-7-13(19)9-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKCLXTWXPRXZVLN-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.49
Rot. Bonds5

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 71905305) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID71905305
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H18ClN3OS/c1-11-5-3-4-6-14(11)12(2)20-17(23)10-24-18-21-15-8-7-13(19)9-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKCLXTWXPRXZVLN-UHFFFAOYSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.49
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-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide (CID 71905305) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(C)NC(=O)CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is KCLXTWXPRXZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-11-5-3-4-6-14(11)12(2)20-17(23)10-24-18-21-15-8-7-13(19)9-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 4.49, 5 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-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 71905305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).