1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole

C19H25N5 — CID 46884662

IUPAC1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-n3cncn3)cc2)[nH]1
InChIInChI=1S/C19H25N5/c1-4-19(2,3)11-16-12-21-18(23-16)10-7-15-5-8-17(9-6-15)24-14-20-13-22-24/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,23)
InChIKeyFUZUDDMIKYZEQI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.75
Rot. Bonds7

About 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole

1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole (PubChem CID 46884662) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole
PubChem CID46884662
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-n3cncn3)cc2)[nH]1
InChIInChI=1S/C19H25N5/c1-4-19(2,3)11-16-12-21-18(23-16)10-7-15-5-8-17(9-6-15)24-14-20-13-22-24/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,23)
InChIKeyFUZUDDMIKYZEQI-UHFFFAOYSA-N
XLogP3.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71263
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Bag-1
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3-Fluoro-5-[5-(4-methyl-1H-imidazol-2-yl)-tetrazol-2-yl]-benzonitrile
CID 135463043
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
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4-(2-(4-Methylphenylamino)ethyl)-1H-imidazole
CID 46222043
N'-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
CID 14479829
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24758024
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1H-pyrazole
CID 25025862
2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-6-methylpyridine
CID 25026056
7-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine
CID 25026058

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole?
The IUPAC name of 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole (CID 46884662) is 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole?
The canonical SMILES for 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole is CCC(C)(C)Cc1cnc(CCc2ccc(-n3cncn3)cc2)[nH]1.
What is the InChIKey of 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole?
The InChIKey is FUZUDDMIKYZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-19(2,3)11-16-12-21-18(23-16)10-7-15-5-8-17(9-6-15)24-14-20-13-22-24/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,23).
What are the key properties of 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole?
1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole has a molecular weight of 323.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 46884662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).