6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde

C21H31N3O2 — CID 145045454

IUPAC6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCC2CCCCC2C2=CN(C)CN2C(C)C)c(C=O)n1
InChIInChI=1S/C21H31N3O2/c1-15(2)24-14-23(4)11-20(24)18-8-6-5-7-17(18)13-26-21-10-9-16(3)22-19(21)12-25/h9-12,15,17-18H,5-8,13-14H2,1-4H3
InChIKeyXXVRHOAQHVMULZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.84
Rot. Bonds6

About 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde

6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde (PubChem CID 145045454) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
PubChem CID145045454
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCC2CCCCC2C2=CN(C)CN2C(C)C)c(C=O)n1
InChIInChI=1S/C21H31N3O2/c1-15(2)24-14-23(4)11-20(24)18-8-6-5-7-17(18)13-26-21-10-9-16(3)22-19(21)12-25/h9-12,15,17-18H,5-8,13-14H2,1-4H3
InChIKeyXXVRHOAQHVMULZ-UHFFFAOYSA-N
XLogP3.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde 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 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde (CID 145045454) is 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde is Cc1ccc(OCC2CCCCC2C2=CN(C)CN2C(C)C)c(C=O)n1.
What is the InChIKey of 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
The InChIKey is XXVRHOAQHVMULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)24-14-23(4)11-20(24)18-8-6-5-7-17(18)13-26-21-10-9-16(3)22-19(21)12-25/h9-12,15,17-18H,5-8,13-14H2,1-4H3.
What are the key properties of 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde?
6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde has a molecular weight of 357.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[2-(1-methyl-3-propan-2-yl-2H-imidazol-4-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 145045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).