N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

C19H20ClN3OS — CID 2483829

IUPACN-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H20ClN3OS/c1-13(2)23(11-14-6-4-3-5-7-14)18(24)12-25-19-21-16-9-8-15(20)10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyKELHUHSOZVAWJM-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.75
Rot. Bonds6

About N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 2483829) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID2483829
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H20ClN3OS/c1-13(2)23(11-14-6-4-3-5-7-14)18(24)12-25-19-21-16-9-8-15(20)10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyKELHUHSOZVAWJM-UHFFFAOYSA-N
XLogP4.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
CID 7246760
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2366378
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 2215507
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41036687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 2483829) is N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is KELHUHSOZVAWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13(2)23(11-14-6-4-3-5-7-14)18(24)12-25-19-21-16-9-8-15(20)10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 373.91 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2483829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).