1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole

C37H34Cl2N4O2 — CID 174936173

IUPAC1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C22H17ClN2.C15H17ClN2O2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h1-17H;4-10,14H,1-3H3
InChIKeyWUSODLNOHBSRBR-UHFFFAOYSA-N
MW637.61 g/mol
LogP9.11
Rot. Bonds8

About 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole

1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole (PubChem CID 174936173) has the molecular formula C37H34Cl2N4O2 and a molecular weight of 637.61 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
PubChem CID174936173
Molecular FormulaC37H34Cl2N4O2
Molecular Weight637.61 g/mol
Exact Mass636.21
IUPAC Name1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChIInChI=1S/C22H17ClN2.C15H17ClN2O2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h1-17H;4-10,14H,1-3H3
InChIKeyWUSODLNOHBSRBR-UHFFFAOYSA-N
XLogP9.11
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.61
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole 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-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-one
CID 679161
[4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-methylprop-2-enoate
CID 23350041
4-(4-fluorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutanoic acid
CID 20538663
acetic acid;1-tritylimidazole
CID 67535266
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
CID 14046690
[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] tetradecanoate
CID 21319188
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
CID 142193020

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The IUPAC name of 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole (CID 174936173) is 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole.
What is the SMILES notation for 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The canonical SMILES for 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole is CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.
What is the InChIKey of 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The InChIKey is WUSODLNOHBSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2.C15H17ClN2O2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h1-17H;4-10,14H,1-3H3.
What are the key properties of 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole has a molecular weight of 637.61 g/mol, XLogP of 9.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole is sourced from PubChem (CID 174936173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).