5-cyclopropyl-1-heptan-2-ylimidazole

C13H22N2 — CID 116811645

IUPAC5-cyclopropyl-1-heptan-2-ylimidazole
SMILESCCCCCC(C)n1cncc1C1CC1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-11(2)15-10-14-9-13(15)12-7-8-12/h9-12H,3-8H2,1-2H3
InChIKeyJCEFWBOBJZSXCY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds6

About 5-cyclopropyl-1-heptan-2-ylimidazole

5-cyclopropyl-1-heptan-2-ylimidazole (PubChem CID 116811645) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-cyclopropyl-1-heptan-2-ylimidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-heptan-2-ylimidazole
PubChem CID116811645
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-cyclopropyl-1-heptan-2-ylimidazole
SMILESCCCCCC(C)n1cncc1C1CC1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-11(2)15-10-14-9-13(15)12-7-8-12/h9-12H,3-8H2,1-2H3
InChIKeyJCEFWBOBJZSXCY-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-1-heptan-2-ylimidazole 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

3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
1-(5-cyclopropylimidazol-1-yl)ethanethiol
CID 147733505
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
5-(azetidin-3-yl)-1-octan-4-ylimidazole
CID 106022193
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-heptan-2-ylimidazole?
The IUPAC name of 5-cyclopropyl-1-heptan-2-ylimidazole (CID 116811645) is 5-cyclopropyl-1-heptan-2-ylimidazole.
What is the SMILES notation for 5-cyclopropyl-1-heptan-2-ylimidazole?
The canonical SMILES for 5-cyclopropyl-1-heptan-2-ylimidazole is CCCCCC(C)n1cncc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-heptan-2-ylimidazole?
The InChIKey is JCEFWBOBJZSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-5-6-11(2)15-10-14-9-13(15)12-7-8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-heptan-2-ylimidazole?
5-cyclopropyl-1-heptan-2-ylimidazole has a molecular weight of 206.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-heptan-2-ylimidazole is sourced from PubChem (CID 116811645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).