N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide

C22H25N3OS — CID 25239359

IUPACN-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCc1ccc2nc(SC(C(=O)NC3CCCCC3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H25N3OS/c1-15-12-13-18-19(14-15)25-22(24-18)27-20(16-8-4-2-5-9-16)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyOJEKAPRBAZNOQF-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.15
Rot. Bonds5

About N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide

N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 25239359) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID25239359
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCc1ccc2nc(SC(C(=O)NC3CCCCC3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H25N3OS/c1-15-12-13-18-19(14-15)25-22(24-18)27-20(16-8-4-2-5-9-16)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyOJEKAPRBAZNOQF-UHFFFAOYSA-N
XLogP5.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 41037870
N,N-dimethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 18198813
N-cyclopropyl-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 17444085
(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 51982672
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7246804
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
CID 63581501
(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40511290
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 27353118
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetic acid
CID 6931602

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide (CID 25239359) is N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide is Cc1ccc2nc(SC(C(=O)NC3CCCCC3)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is OJEKAPRBAZNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-12-13-18-19(14-15)25-22(24-18)27-20(16-8-4-2-5-9-16)21(26)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 379.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 25239359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).