2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C15H20ClN3OS — CID 2086135

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)C(C)C
InChIInChI=1S/C15H20ClN3OS/c1-9(2)19(10(3)4)14(20)8-21-15-17-12-6-5-11(16)7-13(12)18-15/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeySVBMIJFRJKKOPJ-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.95
Rot. Bonds5

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 2086135) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID2086135
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)C(C)C
InChIInChI=1S/C15H20ClN3OS/c1-9(2)19(10(3)4)14(20)8-21-15-17-12-6-5-11(16)7-13(12)18-15/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeySVBMIJFRJKKOPJ-UHFFFAOYSA-N
XLogP3.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
CID 351917
(5-chloro-1H-benzimidazol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10446295
[(2S,4S)-4-[4-(6-chloro-1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66559299
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
CID 225102
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
2-(1H-Benzimidazol-2-ylthio)-N,N-diethylethanamine
CID 28909
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
dCeMM3
CID 684872
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 2086135) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)C(C)C.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is SVBMIJFRJKKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-9(2)19(10(3)4)14(20)8-21-15-17-12-6-5-11(16)7-13(12)18-15/h5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 325.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 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,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 2086135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).