N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide

C23H27N3O — CID 94020442

IUPACN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-17(19-9-11-21(12-10-19)23(2,3)4)25-22(27)20-7-5-18(6-8-20)15-26-14-13-24-16-26/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyWMRXZAOVEHQMJO-QGZVFWFLSA-N
MW361.49 g/mol
LogP4.72
Rot. Bonds5

About N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 94020442) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID94020442
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-17(19-9-11-21(12-10-19)23(2,3)4)25-22(27)20-7-5-18(6-8-20)15-26-14-13-24-16-26/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyWMRXZAOVEHQMJO-QGZVFWFLSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
4-(imidazol-1-ylmethyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 94013658
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
4-(imidazol-1-ylmethyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94025465
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide (CID 94020442) is N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide is C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is WMRXZAOVEHQMJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17(19-9-11-21(12-10-19)23(2,3)4)25-22(27)20-7-5-18(6-8-20)15-26-14-13-24-16-26/h5-14,16-17H,15H2,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 94020442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).