4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

C22H24N4O2 — CID 55719023

IUPAC4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-16(2)24-21(27)13-17-5-9-20(10-6-17)25-22(28)19-7-3-18(4-8-19)14-26-12-11-23-15-26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGMGMSXYKQFSEOE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 55719023) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
PubChem CID55719023
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-16(2)24-21(27)13-17-5-9-20(10-6-17)25-22(28)19-7-3-18(4-8-19)14-26-12-11-23-15-26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyGMGMSXYKQFSEOE-UHFFFAOYSA-N
XLogP3.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
4-(imidazol-1-ylmethyl)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560722
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 55719023) is 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The InChIKey is GMGMSXYKQFSEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)24-21(27)13-17-5-9-20(10-6-17)25-22(28)19-7-3-18(4-8-19)14-26-12-11-23-15-26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 55719023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).