(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one

C18H22ClN3OS — CID 41424818

IUPAC(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-13-7-10-21(11-8-13)17(23)14(2)24-18-20-9-12-22(18)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyRSFHMQJXSZXACL-CQSZACIVSA-N
MW363.91 g/mol
LogP4.26
Rot. Bonds4

About (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one

(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 41424818) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID41424818
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-13-7-10-21(11-8-13)17(23)14(2)24-18-20-9-12-22(18)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyRSFHMQJXSZXACL-CQSZACIVSA-N
XLogP4.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 24597538
1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropan-1-one
CID 46617564
ethyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 46691402
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 41434180
ethyl 1-[(2R)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 41434187
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
2-(4-chlorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916582
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 39074298
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
CID 17405064
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 51108121

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one (CID 41424818) is (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is RSFHMQJXSZXACL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13-7-10-21(11-8-13)17(23)14(2)24-18-20-9-12-22(18)16-5-3-15(19)4-6-16/h3-6,9,12-14H,7-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one?
(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 363.91 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 41424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).