2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole

C9H12N4 — CID 123407746

IUPAC2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole
SMILESCCc1ncc(-c2ncc(C)[nH]2)[nH]1
InChIInChI=1S/C9H12N4/c1-3-8-10-5-7(13-8)9-11-4-6(2)12-9/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyCVWANFDWCLEHOD-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.67
Rot. Bonds2

About 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole

2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole (PubChem CID 123407746) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole
PubChem CID123407746
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole
SMILESCCc1ncc(-c2ncc(C)[nH]2)[nH]1
InChIInChI=1S/C9H12N4/c1-3-8-10-5-7(13-8)9-11-4-6(2)12-9/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyCVWANFDWCLEHOD-UHFFFAOYSA-N
XLogP1.67
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole 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

CID 175233051
CID 175233051
2-ethyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
CID 158806320
2-ethyl-5-methyl-1H-imidazole;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
CID 160616138
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
CID 163518861
2-(2-isocyanoethyl)-5-methyl-1H-imidazole
CID 83478882
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821
benzene-1,3-dicarboxylic acid;2-ethyl-5-methyl-1H-imidazole
CID 68635581
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
5-ethoxy-2-ethyl-1H-imidazole
CID 22909640
2-ethyl-5-methyl-1H-imidazole;2-(phenoxymethyl)oxirane
CID 160958615
2,6-dimethyl-4-(5-methyl-1H-imidazol-2-yl)pyridine
CID 107504185

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole?
The IUPAC name of 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole (CID 123407746) is 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole?
The canonical SMILES for 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole is CCc1ncc(-c2ncc(C)[nH]2)[nH]1.
What is the InChIKey of 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole?
The InChIKey is CVWANFDWCLEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-8-10-5-7(13-8)9-11-4-6(2)12-9/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole?
2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-methyl-1H-imidazol-2-yl)-1H-imidazole is sourced from PubChem (CID 123407746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).