N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide

C22H25N3O — CID 155511960

IUPACN-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)14-21(15-25-13-12-23-16-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,16-17,21H,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLDBTZICVDXWKTR-NRFANRHFSA-N
MW347.46 g/mol
LogP4.39
Rot. Bonds7

About N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide

N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide (PubChem CID 155511960) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
PubChem CID155511960
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)14-21(15-25-13-12-23-16-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,16-17,21H,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyLDBTZICVDXWKTR-NRFANRHFSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
CID 175034647
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
2-methylpropyl (2S)-3-imidazol-1-yl-2-[[4-(2-methylphenyl)benzoyl]amino]propanoate
CID 134154971
N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
CID 155518982
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
propan-2-yl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134145234
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide (CID 155511960) is N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide is CC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide?
The InChIKey is LDBTZICVDXWKTR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(2)14-21(15-25-13-12-23-16-25)24-22(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,16-17,21H,14-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 155511960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).