3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

C19H16N6O — CID 122137166

IUPAC3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H16N6O/c26-19(16-5-1-3-14(9-16)11-25-8-7-20-13-25)23-17-6-2-4-15(10-17)18-21-12-22-24-18/h1-10,12-13H,11H2,(H,23,26)(H,21,22,24)
InChIKeyQIYPWLFUYBUIQR-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.97
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 122137166) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID122137166
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C19H16N6O/c26-19(16-5-1-3-14(9-16)11-25-8-7-20-13-25)23-17-6-2-4-15(10-17)18-21-12-22-24-18/h1-10,12-13H,11H2,(H,23,26)(H,21,22,24)
InChIKeyQIYPWLFUYBUIQR-UHFFFAOYSA-N
XLogP2.97
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 155946258
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 86846693

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 122137166) is 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is QIYPWLFUYBUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(16-5-1-3-14(9-16)11-25-8-7-20-13-25)23-17-6-2-4-15(10-17)18-21-12-22-24-18/h1-10,12-13H,11H2,(H,23,26)(H,21,22,24).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 122137166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).