(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone

C19H24ClN3OS — CID 10156476

IUPAC(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone
SMILESCC(C)N1CCC(Sc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
InChIInChI=1S/C19H24ClN3OS/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeySQJARQXLOZMWCM-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.27
Rot. Bonds5

About (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone

(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone (PubChem CID 10156476) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone
PubChem CID10156476
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone
SMILESCC(C)N1CCC(Sc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
InChIInChI=1S/C19H24ClN3OS/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeySQJARQXLOZMWCM-UHFFFAOYSA-N
XLogP4.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone (CID 10156476) is (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone is CC(C)N1CCC(Sc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone?
The InChIKey is SQJARQXLOZMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone has a molecular weight of 377.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone is sourced from PubChem (CID 10156476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).