1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one

C14H17N3O — CID 105133820

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2nccn2C)c(C)n1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(11(2)16-10)13(18)6-7-14-15-8-9-17(14)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPQVUFDMACQZVMW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds4

About 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 105133820) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID105133820
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2nccn2C)c(C)n1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(11(2)16-10)13(18)6-7-14-15-8-9-17(14)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPQVUFDMACQZVMW-UHFFFAOYSA-N
XLogP2.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
CID 114529474
1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
1-(4,5-dimethylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811807
3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 114529531

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 105133820) is 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one is Cc1ccc(C(=O)CCc2nccn2C)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is PQVUFDMACQZVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-12(11(2)16-10)13(18)6-7-14-15-8-9-17(14)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 105133820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).