1-methyl-3-pentyl-2H-imidazole

C9H18N2 — CID 19604648

IUPAC1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(C)C1
InChIInChI=1S/C9H18N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyHDXFBBSZRMZTFF-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds4

About 1-methyl-3-pentyl-2H-imidazole

1-methyl-3-pentyl-2H-imidazole (PubChem CID 19604648) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-pentyl-2H-imidazole
PubChem CID19604648
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(C)C1
InChIInChI=1S/C9H18N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyHDXFBBSZRMZTFF-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-pentyl-2H-imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-2H-imidazole?
The IUPAC name of 1-methyl-3-pentyl-2H-imidazole (CID 19604648) is 1-methyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1-methyl-3-pentyl-2H-imidazole is CCCCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-pentyl-2H-imidazole?
The InChIKey is HDXFBBSZRMZTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-2H-imidazole?
1-methyl-3-pentyl-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 19604648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).