1-(2-methylbutyl)-3-propylimidazol-2-one

C11H20N2O — CID 116624704

IUPAC1-(2-methylbutyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(C)CC)c1=O
InChIInChI=1S/C11H20N2O/c1-4-6-12-7-8-13(11(12)14)9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyVXIDQWBATQMSLE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-methylbutyl)-3-propylimidazol-2-one

1-(2-methylbutyl)-3-propylimidazol-2-one (PubChem CID 116624704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-propylimidazol-2-one
PubChem CID116624704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-methylbutyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(C)CC)c1=O
InChIInChI=1S/C11H20N2O/c1-4-6-12-7-8-13(11(12)14)9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyVXIDQWBATQMSLE-UHFFFAOYSA-N
XLogP2.11
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
CID 80581732
1-[2-(bromomethyl)pentyl]-3-propylimidazol-2-one
CID 80580486
1-(4-aminopentyl)-3-propylimidazol-2-one
CID 80581550
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one
CID 116624729
1-(3-bromopropyl)-3-propylimidazol-2-one
CID 80580767
1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
CID 116624740
1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
CID 106800521
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(2-methylbutyl)-3-propylimidazol-2-one (CID 116624704) is 1-(2-methylbutyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(2-methylbutyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(2-methylbutyl)-3-propylimidazol-2-one is CCCn1ccn(CC(C)CC)c1=O.
What is the InChIKey of 1-(2-methylbutyl)-3-propylimidazol-2-one?
The InChIKey is VXIDQWBATQMSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-12-7-8-13(11(12)14)9-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-3-propylimidazol-2-one?
1-(2-methylbutyl)-3-propylimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-propylimidazol-2-one is sourced from PubChem (CID 116624704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).