2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole

C18H19N5 — CID 5272036

IUPAC2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)Cn1c(Cn2nc3ccccc3n2)nc2ccccc21
InChIInChI=1S/C18H19N5/c1-13(2)11-22-17-10-6-5-9-16(17)19-18(22)12-23-20-14-7-3-4-8-15(14)21-23/h3-10,13H,11-12H2,1-2H3
InChIKeyVRAACFYRAWDBRE-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.49
Rot. Bonds4

About 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole

2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole (PubChem CID 5272036) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole.

Molecular Properties

Compound Name2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
PubChem CID5272036
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
SMILESCC(C)Cn1c(Cn2nc3ccccc3n2)nc2ccccc21
InChIInChI=1S/C18H19N5/c1-13(2)11-22-17-10-6-5-9-16(17)19-18(22)12-23-20-14-7-3-4-8-15(14)21-23/h3-10,13H,11-12H2,1-2H3
InChIKeyVRAACFYRAWDBRE-UHFFFAOYSA-N
XLogP3.49
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole?
The IUPAC name of 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole (CID 5272036) is 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole.
What is the SMILES notation for 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole?
The canonical SMILES for 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole is CC(C)Cn1c(Cn2nc3ccccc3n2)nc2ccccc21.
What is the InChIKey of 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole?
The InChIKey is VRAACFYRAWDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-13(2)11-22-17-10-6-5-9-16(17)19-18(22)12-23-20-14-7-3-4-8-15(14)21-23/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole?
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole has a molecular weight of 305.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole is sourced from PubChem (CID 5272036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).