3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole

C17H21N5 — CID 150762794

IUPAC3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole
SMILESCc1ncn(CCc2nc(-c3ccccc3)cn2C(C)C)n1
InChIInChI=1S/C17H21N5/c1-13(2)22-11-16(15-7-5-4-6-8-15)19-17(22)9-10-21-12-18-14(3)20-21/h4-8,11-13H,9-10H2,1-3H3
InChIKeyJYENYDBFSWMZCF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.27
Rot. Bonds5

About 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole

3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole (PubChem CID 150762794) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole
PubChem CID150762794
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole
SMILESCc1ncn(CCc2nc(-c3ccccc3)cn2C(C)C)n1
InChIInChI=1S/C17H21N5/c1-13(2)22-11-16(15-7-5-4-6-8-15)19-17(22)9-10-21-12-18-14(3)20-21/h4-8,11-13H,9-10H2,1-3H3
InChIKeyJYENYDBFSWMZCF-UHFFFAOYSA-N
XLogP3.27
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-2-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 44608767
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
CID 58258708
3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
CID 141321265
5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71696708
2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543741
2-phenyl-1-propan-2-ylimidazole
CID 12997870
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
CID 54755363
ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
CID 167444701
5,8-dimethyl-2-[2-(1-(111C)methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 57338723
2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
CID 137403215
2-phenyl-7,8-dihydro-5H-imidazo[1,2-a]pyrazin-6-one
CID 155540781
1-(3,3-difluoropropyl)-3-methyl-1,2,4-triazole
CID 84651171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole (CID 150762794) is 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole is Cc1ncn(CCc2nc(-c3ccccc3)cn2C(C)C)n1.
What is the InChIKey of 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole?
The InChIKey is JYENYDBFSWMZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13(2)22-11-16(15-7-5-4-6-8-15)19-17(22)9-10-21-12-18-14(3)20-21/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole?
3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole has a molecular weight of 295.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 150762794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).