N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide

C22H21N5O — CID 91763304

IUPACN-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N5O/c28-22(25-12-4-7-21-23-13-14-24-21)18-10-8-17(9-11-18)20-15-27(16-26-20)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,23,24)(H,25,28)
InChIKeyUGEZEFCLNVDJCW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.62
Rot. Bonds7

About N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide

N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide (PubChem CID 91763304) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
PubChem CID91763304
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1
InChIInChI=1S/C22H21N5O/c28-22(25-12-4-7-21-23-13-14-24-21)18-10-8-17(9-11-18)20-15-27(16-26-20)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,23,24)(H,25,28)
InChIKeyUGEZEFCLNVDJCW-UHFFFAOYSA-N
XLogP3.62
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)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

4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(2,4,5-trifluorophenyl)quinoxaline-6-carboxamide
CID 118463473
N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089605
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
N-[4-(1H-imidazol-2-yl)butyl]-4-methyl-3-methylsulfonylbenzamide
CID 138047388
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120564
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 118463936

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide (CID 91763304) is N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide is O=C(NCCCc1ncc[nH]1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide?
The InChIKey is UGEZEFCLNVDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(25-12-4-7-21-23-13-14-24-21)18-10-8-17(9-11-18)20-15-27(16-26-20)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-16H,4,7,12H2,(H,23,24)(H,25,28).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide?
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide is sourced from PubChem (CID 91763304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).