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

C20H22BrN3O — CID 74221652

IUPAC4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
SMILESBr.Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O.BrH/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);1H
InChIKeyOLQNFDFIFAJUDM-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.63
Rot. Bonds6

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

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide (PubChem CID 74221652) has the molecular formula C20H22BrN3O and a molecular weight of 400.32 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
PubChem CID74221652
Molecular FormulaC20H22BrN3O
Molecular Weight400.32 g/mol
Exact Mass399.09
IUPAC Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
SMILESBr.Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O.BrH/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);1H
InChIKeyOLQNFDFIFAJUDM-UHFFFAOYSA-N
XLogP3.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid
CID 74221742
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
CID 66846935
4-[2-methyl-3-[(E)-3-phenylprop-2-enyl]imidazol-3-ium-1-yl]-2,2-diphenylbutanamide
CID 46931640
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
2,2-diphenylhexanamide;hydrochloride
CID 142429226
3-[N-[2-(2-methylimidazol-1-yl)ethyl]anilino]propanethioamide
CID 61493793
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
phenyl 7-(2-methylimidazol-1-yl)heptanoate
CID 67587513

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide (CID 74221652) is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide is Br.Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide?
The InChIKey is OLQNFDFIFAJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.BrH/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);1H.
What are the key properties of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide?
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide has a molecular weight of 400.32 g/mol, XLogP of 3.63, 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;hydrobromide is sourced from PubChem (CID 74221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).