N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

C22H25N3O2S — CID 42968976

IUPACN-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(21(26)23-16-7-3-4-8-16)28-22-24-19-9-5-6-10-20(19)25(22)17-11-13-18(27-2)14-12-17/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,26)
InChIKeyYKXWVSUCOLHOEV-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.57
Rot. Bonds6

About N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide

N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 42968976) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID42968976
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C22H25N3O2S/c1-15(21(26)23-16-7-3-4-8-16)28-22-24-19-9-5-6-10-20(19)25(22)17-11-13-18(27-2)14-12-17/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,26)
InChIKeyYKXWVSUCOLHOEV-UHFFFAOYSA-N
XLogP4.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 112781817
(2S)-N-cyclopentyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631950
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3949503
N-(3,5-dichloro-2-pyridinyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4568308
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 112781936
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-methylpentanamide
CID 130183558
(2R)-N-cyclopropyl-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7246705
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
(2S)-N-cyclopentyl-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631681
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 167859315
N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 41298746

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide (CID 42968976) is N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is COc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is YKXWVSUCOLHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(21(26)23-16-7-3-4-8-16)28-22-24-19-9-5-6-10-20(19)25(22)17-11-13-18(27-2)14-12-17/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,26).
What are the key properties of N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide?
N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 395.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 42968976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).