(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone

C15H18N2O — CID 114026338

IUPAC(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1c(C)cccc1C
InChIInChI=1S/C15H18N2O/c1-4-9-17-10-8-16-15(17)14(18)13-11(2)6-5-7-12(13)3/h5-8,10H,4,9H2,1-3H3
InChIKeyJBVFPGFNBUNARG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.14
Rot. Bonds4

About (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone

(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 114026338) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID114026338
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1c(C)cccc1C
InChIInChI=1S/C15H18N2O/c1-4-9-17-10-8-16-15(17)14(18)13-11(2)6-5-7-12(13)3/h5-8,10H,4,9H2,1-3H3
InChIKeyJBVFPGFNBUNARG-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone (CID 114026338) is (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is JBVFPGFNBUNARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-9-17-10-8-16-15(17)14(18)13-11(2)6-5-7-12(13)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone?
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 114026338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).