2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide

C17H20ClN3OS — CID 46811464

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1nccn1-c1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3OS/c1-12(16(22)20-14-6-2-3-7-14)23-17-19-9-10-21(17)15-8-4-5-13(18)11-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyYTPVAWOSTVDCTO-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide (PubChem CID 46811464) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
PubChem CID46811464
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
SMILESCC(Sc1nccn1-c1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C17H20ClN3OS/c1-12(16(22)20-14-6-2-3-7-14)23-17-19-9-10-21(17)15-8-4-5-13(18)11-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyYTPVAWOSTVDCTO-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
(2S)-N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51481324
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
(2S)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 7483673
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
(2R)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40609741
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide (CID 46811464) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide is CC(Sc1nccn1-c1cccc(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide?
The InChIKey is YTPVAWOSTVDCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-12(16(22)20-14-6-2-3-7-14)23-17-19-9-10-21(17)15-8-4-5-13(18)11-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,20,22).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide has a molecular weight of 349.89 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 46811464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).