1-[(2-ethylimidazol-1-yl)methyl]benzotriazole

C12H13N5 — CID 123697665

IUPAC1-[(2-ethylimidazol-1-yl)methyl]benzotriazole
SMILESCCc1nccn1Cn1nnc2ccccc21
InChIInChI=1S/C12H13N5/c1-2-12-13-7-8-16(12)9-17-11-6-4-3-5-10(11)14-15-17/h3-8H,2,9H2,1H3
InChIKeyNFQLPALEDWYOJM-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.70
Rot. Bonds3

About 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole

1-[(2-ethylimidazol-1-yl)methyl]benzotriazole (PubChem CID 123697665) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2-ethylimidazol-1-yl)methyl]benzotriazole
PubChem CID123697665
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-[(2-ethylimidazol-1-yl)methyl]benzotriazole
SMILESCCc1nccn1Cn1nnc2ccccc21
InChIInChI=1S/C12H13N5/c1-2-12-13-7-8-16(12)9-17-11-6-4-3-5-10(11)14-15-17/h3-8H,2,9H2,1H3
InChIKeyNFQLPALEDWYOJM-UHFFFAOYSA-N
XLogP1.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole?
The IUPAC name of 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole (CID 123697665) is 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole?
The canonical SMILES for 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole is CCc1nccn1Cn1nnc2ccccc21.
What is the InChIKey of 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole?
The InChIKey is NFQLPALEDWYOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-12-13-7-8-16(12)9-17-11-6-4-3-5-10(11)14-15-17/h3-8H,2,9H2,1H3.
What are the key properties of 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole?
1-[(2-ethylimidazol-1-yl)methyl]benzotriazole has a molecular weight of 227.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylimidazol-1-yl)methyl]benzotriazole is sourced from PubChem (CID 123697665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).