(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone

C13H15N3O — CID 63977127

IUPAC(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cc(C)ccn1
InChIInChI=1S/C13H15N3O/c1-3-7-16-8-6-15-13(16)12(17)11-9-10(2)4-5-14-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyALCNLPDXVGFGRW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.23
Rot. Bonds4

About (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone

(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 63977127) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
PubChem CID63977127
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cc(C)ccn1
InChIInChI=1S/C13H15N3O/c1-3-7-16-8-6-15-13(16)12(17)11-9-10(2)4-5-14-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyALCNLPDXVGFGRW-UHFFFAOYSA-N
XLogP2.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 107123726
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone (CID 63977127) is (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1cc(C)ccn1.
What is the InChIKey of (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is ALCNLPDXVGFGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-7-16-8-6-15-13(16)12(17)11-9-10(2)4-5-14-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone?
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 63977127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).