4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide

C20H21N3O — CID 6433090

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IUPAC4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)
InChIKeySQKXYSGRELMAAU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.05
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide (PubChem CID 6433090) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
PubChem CID6433090
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)
InChIKeySQKXYSGRELMAAU-UHFFFAOYSA-N
XLogP3.05
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Imidazol-1-yl)-1-(4-(2-phenylethyl)phenyl)ethanone
CID 52758
1-(1,1'-Biphenyl)-4-yl-2-(1H-imidazol-1-yl)ethanone
CID 51709
Ethanone, 1-(4-cyclohexylphenyl)-2-(1H-imidazol-1-yl)-
CID 3057014
1-(1h-Imidazol-1-Yl)-4,4-Diphenylbutan-2-One
CID 58580486
N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide
CID 2939686
6-(3-Benzyl-2-methylimidazol-3-ium-1-yl)-2,2-diphenylhexanamide bromide
CID 15516746
4-(5-Methylimidazol-1-yl)-2,2-diphenylbutanamide
CID 44296897
4-[3-[(4-Chlorophenyl)methyl]-2-methylimidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide
CID 44332935
5-(3-Benzyl-2-methylimidazol-3-ium-1-yl)-2,2-diphenylpentanamide bromide
CID 44332943
4-[3-[(4-Bromophenyl)methyl]-2-methylimidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide
CID 44333124
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(phenyl)methanone
CID 9802297

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide (CID 6433090) is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide is Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide?
The InChIKey is SQKXYSGRELMAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24).
What are the key properties of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide?
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide has a molecular weight of 319.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide is sourced from PubChem (CID 6433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).