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

C20H26ClN3O2 — CID 10292893

IUPAC(3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3cccc(Cl)c3)n2C)CC1
InChIInChI=1S/C20H26ClN3O2/c1-14(2)24-9-7-15(8-10-24)13-26-20-22-12-18(23(20)3)19(25)16-5-4-6-17(21)11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3
InChIKeyZZVGECDCHCQRRY-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.80
Rot. Bonds6

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

(3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone (PubChem CID 10292893) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
PubChem CID10292893
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name(3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
SMILESCC(C)N1CCC(COc2ncc(C(=O)c3cccc(Cl)c3)n2C)CC1
InChIInChI=1S/C20H26ClN3O2/c1-14(2)24-9-7-15(8-10-24)13-26-20-22-12-18(23(20)3)19(25)16-5-4-6-17(21)11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3
InChIKeyZZVGECDCHCQRRY-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone (CID 10292893) is (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone is CC(C)N1CCC(COc2ncc(C(=O)c3cccc(Cl)c3)n2C)CC1.
What is the InChIKey of (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
The InChIKey is ZZVGECDCHCQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-14(2)24-9-7-15(8-10-24)13-26-20-22-12-18(23(20)3)19(25)16-5-4-6-17(21)11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3.
What are the key properties of (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone?
(3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone has a molecular weight of 375.90 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone is sourced from PubChem (CID 10292893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).