N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide

C22H21N5O — CID 175034647

IUPACN-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(Cc1cnc[nH]1)Cn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N5O/c28-22(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-21(12-20-13-24-15-25-20)14-27-11-10-23-16-27/h1-11,13,15-16,21H,12,14H2,(H,24,25)(H,26,28)
InChIKeyJPKWMWOBTOWKSN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.31
Rot. Bonds7

About N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide

N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide (PubChem CID 175034647) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
PubChem CID175034647
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(Cc1cnc[nH]1)Cn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N5O/c28-22(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-21(12-20-13-24-15-25-20)14-27-11-10-23-16-27/h1-11,13,15-16,21H,12,14H2,(H,24,25)(H,26,28)
InChIKeyJPKWMWOBTOWKSN-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide 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

N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43184154
[4-[[(1R)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl]phenyl]-methylidyneazanium
CID 176831239
4-(4-ethylphenyl)-N-[(2S)-1-(hydroxyamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide;methane
CID 158237152
2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16771532
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
CID 30051636

Frequently Asked Questions

What is the IUPAC name of N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide (CID 175034647) is N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide is O=C(NC(Cc1cnc[nH]1)Cn1ccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide?
The InChIKey is JPKWMWOBTOWKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-21(12-20-13-24-15-25-20)14-27-11-10-23-16-27/h1-11,13,15-16,21H,12,14H2,(H,24,25)(H,26,28).
What are the key properties of N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide?
N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 175034647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).