3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole

C19H25N5 — CID 155965863

IUPAC3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
SMILESCCCCc1nc(CCc2cnc[nH]2)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C19H25N5/c1-4-5-6-18-22-19(10-8-16-12-20-13-21-16)24(23-18)17-9-7-14(2)11-15(17)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyRJWMWQVDIJTVQH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds7

About 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole

3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole (PubChem CID 155965863) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
PubChem CID155965863
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
SMILESCCCCc1nc(CCc2cnc[nH]2)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C19H25N5/c1-4-5-6-18-22-19(10-8-16-12-20-13-21-16)24(23-18)17-9-7-14(2)11-15(17)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyRJWMWQVDIJTVQH-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hexyl-1H-imidazole
CID 14225142
1-(2,4-dimethylphenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea;hydrochloride
CID 163329394
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
2-(3,5-diethyl-1,2,4-triazol-1-yl)-5-methylbenzaldehyde
CID 114054285
2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole
CID 143737677
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
2-(2,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-thione
CID 63490091
[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 167877334
1-(4-chloro-2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652302

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole (CID 155965863) is 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole is CCCCc1nc(CCc2cnc[nH]2)n(-c2ccc(C)cc2C)n1.
What is the InChIKey of 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole?
The InChIKey is RJWMWQVDIJTVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-5-6-18-22-19(10-8-16-12-20-13-21-16)24(23-18)17-9-7-14(2)11-15(17)3/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,20,21).
What are the key properties of 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole?
3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole has a molecular weight of 323.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2,4-dimethylphenyl)-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 155965863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).