(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone

C29H24N2O — CID 563948

IUPAC(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C29H24N2O/c32-28(24-17-9-3-10-18-24)27-26(23-15-7-2-8-16-23)30-29(25-19-11-4-12-20-25)31(27)21-22-13-5-1-6-14-22/h1-20,26-27H,21H2
InChIKeyTZAINBQEVXFTNC-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.94
Rot. Bonds6

About (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone

(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone (PubChem CID 563948) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
PubChem CID563948
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C29H24N2O/c32-28(24-17-9-3-10-18-24)27-26(23-15-7-2-8-16-23)30-29(25-19-11-4-12-20-25)31(27)21-22-13-5-1-6-14-22/h1-20,26-27H,21H2
InChIKeyTZAINBQEVXFTNC-UHFFFAOYSA-N
XLogP5.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 53243818
(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 135002305
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
CID 100964466
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
(4R,5R)-1-benzyl-2,4-diphenyl-5-prop-2-ynyl-4,5-dihydropyrimidin-6-one
CID 101467115
(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
CID 135029345
[(1S)-1-phenylethyl] (4R,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269481
1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269255
(1-benzylpyrrol-3-yl)-phenylmethanone
CID 134907398
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
CID 134936672

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone?
The IUPAC name of (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone (CID 563948) is (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone.
What is the SMILES notation for (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone?
The canonical SMILES for (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone is O=C(c1ccccc1)C1C(c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone?
The InChIKey is TZAINBQEVXFTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c32-28(24-17-9-3-10-18-24)27-26(23-15-7-2-8-16-23)30-29(25-19-11-4-12-20-25)31(27)21-22-13-5-1-6-14-22/h1-20,26-27H,21H2.
What are the key properties of (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone?
(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone has a molecular weight of 416.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone is sourced from PubChem (CID 563948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).