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

C15H16FN5 — CID 154821229

IUPAC1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1-c1nc(-c2ccc(F)cc2)[nH]c1C
InChIInChI=1S/C15H16FN5/c1-4-21-15(18-10(3)20-21)13-9(2)17-14(19-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyKBFNDKMUQAJQDR-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.11
Rot. Bonds3

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

1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole (PubChem CID 154821229) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole
PubChem CID154821229
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1-c1nc(-c2ccc(F)cc2)[nH]c1C
InChIInChI=1S/C15H16FN5/c1-4-21-15(18-10(3)20-21)13-9(2)17-14(19-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyKBFNDKMUQAJQDR-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine
CID 143198067
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
N-ethyl-5-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine
CID 72837529
2-(4-fluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143295028
5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
N-[5-[2-(4-fluorophenyl)-5-propyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 59385009
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141897
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole (CID 154821229) is 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole is CCn1nc(C)nc1-c1nc(-c2ccc(F)cc2)[nH]c1C.
What is the InChIKey of 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole?
The InChIKey is KBFNDKMUQAJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-4-21-15(18-10(3)20-21)13-9(2)17-14(19-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole?
1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole has a molecular weight of 285.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 154821229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).