1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide

C19H18N6O — CID 86865146

IUPAC1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)ccc21
InChIInChI=1S/C19H18N6O/c1-2-25-17-9-8-14(10-15(17)23-24-25)19(26)21-12-18-20-11-16(22-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,22)(H,21,26)
InChIKeyDZZADZIKUNSPAT-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.77
Rot. Bonds5

About 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide

1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide (PubChem CID 86865146) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide
PubChem CID86865146
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)ccc21
InChIInChI=1S/C19H18N6O/c1-2-25-17-9-8-14(10-15(17)23-24-25)19(26)21-12-18-20-11-16(22-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,22)(H,21,26)
InChIKeyDZZADZIKUNSPAT-UHFFFAOYSA-N
XLogP2.77
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide (CID 86865146) is 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCc3ncc(-c4ccccc4)[nH]3)ccc21.
What is the InChIKey of 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide?
The InChIKey is DZZADZIKUNSPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-25-17-9-8-14(10-15(17)23-24-25)19(26)21-12-18-20-11-16(22-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,22)(H,21,26).
What are the key properties of 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide?
1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 86865146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).