1-(1-methylimidazol-2-yl)-4-propylheptan-3-one

C14H24N2O — CID 115811810

IUPAC1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCc1nccn1C
InChIInChI=1S/C14H24N2O/c1-4-6-12(7-5-2)13(17)8-9-14-15-10-11-16(14)3/h10-12H,4-9H2,1-3H3
InChIKeyNWWWFFGFWINSGW-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds8

About 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one

1-(1-methylimidazol-2-yl)-4-propylheptan-3-one (PubChem CID 115811810) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
PubChem CID115811810
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCc1nccn1C
InChIInChI=1S/C14H24N2O/c1-4-6-12(7-5-2)13(17)8-9-14-15-10-11-16(14)3/h10-12H,4-9H2,1-3H3
InChIKeyNWWWFFGFWINSGW-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
azane;1-methyl-2-propylimidazole
CID 174525892
5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
CID 115811755
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
1-amino-4-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-4-yl)butan-2-one
CID 114533354
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one (CID 115811810) is 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one is CCCC(CCC)C(=O)CCc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one?
The InChIKey is NWWWFFGFWINSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-6-12(7-5-2)13(17)8-9-14-15-10-11-16(14)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one?
1-(1-methylimidazol-2-yl)-4-propylheptan-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-4-propylheptan-3-one is sourced from PubChem (CID 115811810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).