4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide

C22H21N5O — CID 74240597

IUPAC4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
SMILESO=C(NC(CCn1ccnc1)c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H21N5O/c28-22(19-6-8-20(9-7-19)27-15-12-24-17-27)25-21(18-4-2-1-3-5-18)10-13-26-14-11-23-16-26/h1-9,11-12,14-17,21H,10,13H2,(H,25,28)
InChIKeyFQHCCYNHQSHJMZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.63
Rot. Bonds7

About 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide

4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide (PubChem CID 74240597) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
PubChem CID74240597
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
SMILESO=C(NC(CCn1ccnc1)c1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H21N5O/c28-22(19-6-8-20(9-7-19)27-15-12-24-17-27)25-21(18-4-2-1-3-5-18)10-13-26-14-11-23-16-26/h1-9,11-12,14-17,21H,10,13H2,(H,25,28)
InChIKeyFQHCCYNHQSHJMZ-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
CID 99939338
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 167974637
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
CID 26390849
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide (CID 74240597) is 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide is O=C(NC(CCn1ccnc1)c1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide?
The InChIKey is FQHCCYNHQSHJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(19-6-8-20(9-7-19)27-15-12-24-17-27)25-21(18-4-2-1-3-5-18)10-13-26-14-11-23-16-26/h1-9,11-12,14-17,21H,10,13H2,(H,25,28).
What are the key properties of 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide?
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide is sourced from PubChem (CID 74240597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).