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

C21H28ClN3O2 — CID 44571276

IUPAC(4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(CCOc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
InChIInChI=1S/C21H28ClN3O2/c1-15(2)25-11-8-16(9-12-25)10-13-27-21-23-14-19(24(21)3)20(26)17-4-6-18(22)7-5-17/h4-7,14-16H,8-13H2,1-3H3
InChIKeyCTDRCPWXRQXFDZ-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.19
Rot. Bonds7

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

(4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone (PubChem CID 44571276) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone
PubChem CID44571276
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name(4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(CCOc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
InChIInChI=1S/C21H28ClN3O2/c1-15(2)25-11-8-16(9-12-25)10-13-27-21-23-14-19(24(21)3)20(26)17-4-6-18(22)7-5-17/h4-7,14-16H,8-13H2,1-3H3
InChIKeyCTDRCPWXRQXFDZ-UHFFFAOYSA-N
XLogP4.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 9951566
(4-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-3-methyl-3H-imidazol-4-yl)methanone
CID 10134089
(4-fluorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10155386
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 10156476
(3,5-dichlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10179744
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(4-(trifluoromethyl)phenyl)methanone
CID 10201558
(3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10292893
(4-bromophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10295613
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylthio)-1H-imidazol-5-yl)methanone
CID 10177656
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-yloxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11545034
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 11551796

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone (CID 44571276) is (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone is CC(C)N1CCC(CCOc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone?
The InChIKey is CTDRCPWXRQXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-15(2)25-11-8-16(9-12-25)10-13-27-21-23-14-19(24(21)3)20(26)17-4-6-18(22)7-5-17/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of (4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone has a molecular weight of 389.93 g/mol, XLogP of 4.19, 7 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-[2-(1-propan-2-ylpiperidin-4-yl)ethoxy]imidazol-4-yl]methanone is sourced from PubChem (CID 44571276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).