N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide

C19H16N6O — CID 75514102

IUPACN-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
SMILESCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C19H16N6O/c1-24-13-20-17(14-6-3-2-4-7-14)18(24)22-19(26)15-8-5-9-16(12-15)25-11-10-21-23-25/h2-13H,1H3,(H,22,26)
InChIKeySSNLBPNSODCFEA-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.92
Rot. Bonds4

About N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide

N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide (PubChem CID 75514102) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
PubChem CID75514102
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
SMILESCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C19H16N6O/c1-24-13-20-17(14-6-3-2-4-7-14)18(24)22-19(26)15-8-5-9-16(12-15)25-11-10-21-23-25/h2-13H,1H3,(H,22,26)
InChIKeySSNLBPNSODCFEA-UHFFFAOYSA-N
XLogP2.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
CID 75389637
N-(1-methyl-4-nitropyrazol-5-yl)-3-(triazol-1-yl)benzamide
CID 99834148
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
CID 97243759
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
CID 75389703
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide
CID 75389682
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid
CID 59608695
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide?
The IUPAC name of N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide (CID 75514102) is N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide is Cn1cnc(-c2ccccc2)c1NC(=O)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide?
The InChIKey is SSNLBPNSODCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-24-13-20-17(14-6-3-2-4-7-14)18(24)22-19(26)15-8-5-9-16(12-15)25-11-10-21-23-25/h2-13H,1H3,(H,22,26).
What are the key properties of N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide?
N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 75514102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).