1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole

C17H16N6 — CID 122451985

IUPAC1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole
SMILESCc1cnc(-n2nnc3ccccc32)n1CCc1ccccn1
InChIInChI=1S/C17H16N6/c1-13-12-19-17(22(13)11-9-14-6-4-5-10-18-14)23-16-8-3-2-7-15(16)20-21-23/h2-8,10,12H,9,11H2,1H3
InChIKeyKWAAFMNMLMGDPD-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.56
Rot. Bonds4

About 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole

1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole (PubChem CID 122451985) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole.

Molecular Properties

Compound Name1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole
PubChem CID122451985
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole
SMILESCc1cnc(-n2nnc3ccccc32)n1CCc1ccccn1
InChIInChI=1S/C17H16N6/c1-13-12-19-17(22(13)11-9-14-6-4-5-10-18-14)23-16-8-3-2-7-15(16)20-21-23/h2-8,10,12H,9,11H2,1H3
InChIKeyKWAAFMNMLMGDPD-UHFFFAOYSA-N
XLogP2.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025
2-(1-chloroethyl)-7-methyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 115552686
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
CID 166186034

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole?
The IUPAC name of 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole (CID 122451985) is 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole.
What is the SMILES notation for 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole?
The canonical SMILES for 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole is Cc1cnc(-n2nnc3ccccc32)n1CCc1ccccn1.
What is the InChIKey of 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole?
The InChIKey is KWAAFMNMLMGDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-13-12-19-17(22(13)11-9-14-6-4-5-10-18-14)23-16-8-3-2-7-15(16)20-21-23/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole?
1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole has a molecular weight of 304.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]benzotriazole is sourced from PubChem (CID 122451985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).