1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole

C18H22N4O — CID 46980437

IUPAC1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
SMILESCc1ccccc1OCCCn1cncc1-c1cn(C)nc1C
InChIInChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeySDHHTZXANZIFGH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds6

About 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole

1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole (PubChem CID 46980437) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
PubChem CID46980437
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
SMILESCc1ccccc1OCCCn1cncc1-c1cn(C)nc1C
InChIInChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3
InChIKeySDHHTZXANZIFGH-UHFFFAOYSA-N
XLogP3.37
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole 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 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole (CID 46980437) is 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole is Cc1ccccc1OCCCn1cncc1-c1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
The InChIKey is SDHHTZXANZIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-7-4-5-8-18(14)23-10-6-9-22-13-19-11-17(22)16-12-21(3)20-15(16)2/h4-5,7-8,11-13H,6,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole?
1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole has a molecular weight of 310.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole is sourced from PubChem (CID 46980437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).