N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide

C18H16N6O — CID 77089106

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H16N6O/c25-18(14-6-7-15-16(10-14)22-23-21-15)20-17(11-24-9-8-19-12-24)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,20,25)(H,21,22,23)
InChIKeySUEAMYGMXWAXQO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.33
Rot. Bonds5

About N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide (PubChem CID 77089106) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
PubChem CID77089106
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H16N6O/c25-18(14-6-7-15-16(10-14)22-23-21-15)20-17(11-24-9-8-19-12-24)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,20,25)(H,21,22,23)
InChIKeySUEAMYGMXWAXQO-UHFFFAOYSA-N
XLogP2.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide (CID 77089106) is N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide is O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is SUEAMYGMXWAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(14-6-7-15-16(10-14)22-23-21-15)20-17(11-24-9-8-19-12-24)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,20,25)(H,21,22,23).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 77089106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).