1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one

C23H24N2O3 — CID 75894759

IUPAC1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1C=CC(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C23H24N2O3/c1-17(2)28-22-7-5-4-6-19(22)10-13-21(26)18-8-11-20(12-9-18)27-16-23-24-14-15-25(23)3/h4-15,17H,16H2,1-3H3
InChIKeyOQWNURLDLUAIOV-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.68
Rot. Bonds8

About 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 75894759) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
PubChem CID75894759
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccccc1C=CC(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C23H24N2O3/c1-17(2)28-22-7-5-4-6-19(22)10-13-21(26)18-8-11-20(12-9-18)27-16-23-24-14-15-25(23)3/h4-15,17H,16H2,1-3H3
InChIKeyOQWNURLDLUAIOV-UHFFFAOYSA-N
XLogP4.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
(E)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 52658518
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 6216700
3-[4-[(E)-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 55883594
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658522
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658504
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54041643

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one (CID 75894759) is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one is CC(C)Oc1ccccc1C=CC(=O)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is OQWNURLDLUAIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17(2)28-22-7-5-4-6-19(22)10-13-21(26)18-8-11-20(12-9-18)27-16-23-24-14-15-25(23)3/h4-15,17H,16H2,1-3H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one?
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 376.46 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).