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

C13H15N5 — CID 139199165

IUPAC1-[(2-propylimidazol-1-yl)methyl]benzotriazole
SMILESCCCc1nccn1Cn1nnc2ccccc21
InChIInChI=1S/C13H15N5/c1-2-5-13-14-8-9-17(13)10-18-12-7-4-3-6-11(12)15-16-18/h3-4,6-9H,2,5,10H2,1H3
InChIKeyLADIWCPACKHGPZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.09
Rot. Bonds4

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

1-[(2-propylimidazol-1-yl)methyl]benzotriazole (PubChem CID 139199165) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-[(2-propylimidazol-1-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2-propylimidazol-1-yl)methyl]benzotriazole
PubChem CID139199165
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-[(2-propylimidazol-1-yl)methyl]benzotriazole
SMILESCCCc1nccn1Cn1nnc2ccccc21
InChIInChI=1S/C13H15N5/c1-2-5-13-14-8-9-17(13)10-18-12-7-4-3-6-11(12)15-16-18/h3-4,6-9H,2,5,10H2,1H3
InChIKeyLADIWCPACKHGPZ-UHFFFAOYSA-N
XLogP2.09
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-(benzimidazol-1-ylmethyl)benzotriazole;dihydrate
CID 139207286
1-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzotriazole chloride
CID 127027682
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423
1-tridecylbenzotriazole
CID 21059042
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-(butylselanylmethyl)benzotriazole
CID 10635572
1-methyl-3-[(2-propylimidazol-1-yl)methyl]quinolin-2-one
CID 126819953
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propylimidazol-1-yl)methyl]benzotriazole?
The IUPAC name of 1-[(2-propylimidazol-1-yl)methyl]benzotriazole (CID 139199165) is 1-[(2-propylimidazol-1-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2-propylimidazol-1-yl)methyl]benzotriazole?
The canonical SMILES for 1-[(2-propylimidazol-1-yl)methyl]benzotriazole is CCCc1nccn1Cn1nnc2ccccc21.
What is the InChIKey of 1-[(2-propylimidazol-1-yl)methyl]benzotriazole?
The InChIKey is LADIWCPACKHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-5-13-14-8-9-17(13)10-18-12-7-4-3-6-11(12)15-16-18/h3-4,6-9H,2,5,10H2,1H3.
What are the key properties of 1-[(2-propylimidazol-1-yl)methyl]benzotriazole?
1-[(2-propylimidazol-1-yl)methyl]benzotriazole has a molecular weight of 241.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propylimidazol-1-yl)methyl]benzotriazole is sourced from PubChem (CID 139199165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).