4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole

C21H24N2O — CID 164858129

IUPAC4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole
SMILESCc1nc(-c2ccc(C#CC3CC3)cc2)cn1CC1CCCCO1
InChIInChI=1S/C21H24N2O/c1-16-22-21(15-23(16)14-20-4-2-3-13-24-20)19-11-9-18(10-12-19)8-7-17-5-6-17/h9-12,15,17,20H,2-6,13-14H2,1H3
InChIKeyIWIMQMOPKXZZRN-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.19
Rot. Bonds3

About 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole

4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole (PubChem CID 164858129) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole
PubChem CID164858129
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole
SMILESCc1nc(-c2ccc(C#CC3CC3)cc2)cn1CC1CCCCO1
InChIInChI=1S/C21H24N2O/c1-16-22-21(15-23(16)14-20-4-2-3-13-24-20)19-11-9-18(10-12-19)8-7-17-5-6-17/h9-12,15,17,20H,2-6,13-14H2,1H3
InChIKeyIWIMQMOPKXZZRN-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-cyclopropylethynyl)phenyl]-5-methyl-1-[[(2R)-oxan-2-yl]methyl]triazole
CID 164858228
6-[4-(2-cyclopropylethynyl)phenyl]-1-(oxan-2-ylmethyl)pyridazin-4-one
CID 164856247
4-[4-(2-cyclopropylethynyl)phenyl]-1-[2-[[(2R)-oxan-2-yl]methoxy]ethyl]triazole
CID 164857034
4-[4-(2-cyclopropylethynyl)phenyl]-6-[[(2R)-oxan-2-yl]methoxy]pyrimidine
CID 164856123
4-[4-(2-cyclopropylethynyl)-2-(methoxymethyl)phenyl]-1-[[(2R)-oxan-2-yl]methyl]triazole
CID 164857944
[5-(2-cyclopropylethynyl)-2-methylphenyl]-[1-(oxan-2-ylmethyl)triazol-4-yl]methanol
CID 164858088
4-[[5-(2-cyclopropylethynyl)-2-ethylphenyl]methyl]-1-(oxan-2-ylmethyl)triazole
CID 164857290
2-[5-(2-cyclopropylethynyl)-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]phenyl]acetonitrile
CID 164856999
4-[1-[3-(2-cyclopropylethynyl)phenyl]ethyl]-1-(oxan-2-ylmethyl)triazole
CID 164858111
4-(2-cyclopropylethynyl)-2-[1-[1-(oxan-2-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 164857428
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883
4-[5-(4-methylphenyl)-1-[[(2R)-oxocan-2-yl]methyl]pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 167185405

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole?
The IUPAC name of 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole (CID 164858129) is 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole.
What is the SMILES notation for 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole?
The canonical SMILES for 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole is Cc1nc(-c2ccc(C#CC3CC3)cc2)cn1CC1CCCCO1.
What is the InChIKey of 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole?
The InChIKey is IWIMQMOPKXZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-22-21(15-23(16)14-20-4-2-3-13-24-20)19-11-9-18(10-12-19)8-7-17-5-6-17/h9-12,15,17,20H,2-6,13-14H2,1H3.
What are the key properties of 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole?
4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole has a molecular weight of 320.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropylethynyl)phenyl]-2-methyl-1-(oxan-2-ylmethyl)imidazole is sourced from PubChem (CID 164858129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).