4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide

C24H28N4O2 — CID 46390810

IUPAC4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(-n2cnc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C24H28N4O2/c1-17(2)23(29)27-22-15-28(16-25-22)21-13-11-20(12-14-21)24(30)26-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-18H,9-10H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyZUFXOEXNGRTISZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.22
Rot. Bonds8

About 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide

4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 46390810) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID46390810
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(-n2cnc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C24H28N4O2/c1-17(2)23(29)27-22-15-28(16-25-22)21-13-11-20(12-14-21)24(30)26-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-18H,9-10H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyZUFXOEXNGRTISZ-UHFFFAOYSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
ethyl 3-[[4-[4-(2-methylpropanoylamino)imidazol-1-yl]benzoyl]amino]benzoate
CID 46390792
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide (CID 46390810) is 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(-n2cnc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is ZUFXOEXNGRTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(2)23(29)27-22-15-28(16-25-22)21-13-11-20(12-14-21)24(30)26-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-18H,9-10H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide?
4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropanoylamino)imidazol-1-yl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 46390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).