(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

C18H18N2O — CID 777295

IUPAC(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN=C2c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-13-10-14(2)12-16(11-13)18(21)20-9-8-19-17(20)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyANWLQBCRLBWKJE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.21
Rot. Bonds2

About (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 777295) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID777295
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN=C2c2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-13-10-14(2)12-16(11-13)18(21)20-9-8-19-17(20)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyANWLQBCRLBWKJE-UHFFFAOYSA-N
XLogP3.21
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 879497
(2-fluorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 801421
US10807959, Example B7
CID 146370740
1-Benzoyl-N-cyano-2-pyrrolidinimine
CID 793954
1-benzoyl-2-phenyl-4,5-dihydro-1H-imidazole
CID 777294
1-(4-fluorobenzoyl)-2-phenyl-4,5-dihydro-1H-imidazole
CID 777298
N-[4-[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]butyl]benzamide
CID 155513647
7H-Benz[de]imidazo[2,1-a]isoquinolin-7-one, 9,10-dihydro-
CID 364082
N,3-Dimethyl-N-(phenylmethyl)benzamide
CID 669079
US10202354, Example 85
CID 121477880
(2R)-5-methyl-2,6-diphenyl-5,7-diazaspiro[2.4]hept-6-en-4-one
CID 474692
N-[amino(phenyl)methylidene]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 2746491

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (CID 777295) is (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCN=C2c2ccccc2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is ANWLQBCRLBWKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-10-14(2)12-16(11-13)18(21)20-9-8-19-17(20)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
(3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 777295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).