N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C21H20N6O — CID 42093175

IUPACN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H20N6O/c1-16(18-6-8-20(9-7-18)26-11-10-22-14-26)25-21(28)19-4-2-17(3-5-19)12-27-15-23-13-24-27/h2-11,13-16H,12H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyVLVZTJCYPUSYTH-MRXNPFEDSA-N
MW372.43 g/mol
LogP3.00
Rot. Bonds6

About N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 42093175) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID42093175
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H20N6O/c1-16(18-6-8-20(9-7-18)26-11-10-22-14-26)25-21(28)19-4-2-17(3-5-19)12-27-15-23-13-24-27/h2-11,13-16H,12H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyVLVZTJCYPUSYTH-MRXNPFEDSA-N
XLogP3.00
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24645556
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205
4-[[(3,4-dimethylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40966617
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 42093175) is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is C[C@@H](NC(=O)c1ccc(Cn2cncn2)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is VLVZTJCYPUSYTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N6O/c1-16(18-6-8-20(9-7-18)26-11-10-22-14-26)25-21(28)19-4-2-17(3-5-19)12-27-15-23-13-24-27/h2-11,13-16H,12H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).