N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide

C23H27N3O — CID 155518982

IUPACN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
SMILESCC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(C)c1
InChIInChI=1S/C23H27N3O/c1-4-17(2)22(15-26-13-12-24-16-26)25-23(27)20-10-11-21(18(3)14-20)19-8-6-5-7-9-19/h5-14,16-17,22H,4,15H2,1-3H3,(H,25,27)/t17-,22+/m0/s1
InChIKeyMFZOATWHLNANSZ-HTAPYJJXSA-N
MW361.49 g/mol
LogP4.70
Rot. Bonds7

About N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide

N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide (PubChem CID 155518982) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
PubChem CID155518982
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide
SMILESCC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(C)c1
InChIInChI=1S/C23H27N3O/c1-4-17(2)22(15-26-13-12-24-16-26)25-23(27)20-10-11-21(18(3)14-20)19-8-6-5-7-9-19/h5-14,16-17,22H,4,15H2,1-3H3,(H,25,27)/t17-,22+/m0/s1
InChIKeyMFZOATWHLNANSZ-HTAPYJJXSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (2S)-3-imidazol-1-yl-2-[[4-(2-methylphenyl)benzoyl]amino]propanoate
CID 134154971
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
propan-2-yl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134145234
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
propan-2-yl (2S)-2-[[4-(2,4-difluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134152409
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide?
The IUPAC name of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide (CID 155518982) is N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide is CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide?
The InChIKey is MFZOATWHLNANSZ-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-17(2)22(15-26-13-12-24-16-26)25-23(27)20-10-11-21(18(3)14-20)19-8-6-5-7-9-19/h5-14,16-17,22H,4,15H2,1-3H3,(H,25,27)/t17-,22+/m0/s1.
What are the key properties of N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide?
N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-imidazol-1-yl-3-methylpentan-2-yl]-3-methyl-4-phenylbenzamide is sourced from PubChem (CID 155518982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).