1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one

C15H29N3O — CID 80581732

IUPAC1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
SMILESCCCNC(Cn1ccn(CCC)c1=O)C(C)CC
InChIInChI=1S/C15H29N3O/c1-5-8-16-14(13(4)7-3)12-18-11-10-17(9-6-2)15(18)19/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyZKBFPQGKDUCHDI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.47
Rot. Bonds9

About 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one

1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one (PubChem CID 80581732) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
PubChem CID80581732
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one
SMILESCCCNC(Cn1ccn(CCC)c1=O)C(C)CC
InChIInChI=1S/C15H29N3O/c1-5-8-16-14(13(4)7-3)12-18-11-10-17(9-6-2)15(18)19/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyZKBFPQGKDUCHDI-UHFFFAOYSA-N
XLogP2.47
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-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

1-(2-methylbutyl)-3-propylimidazol-2-one
CID 116624704
1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
CID 80580297
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-propan-2-yl-3-[2-(propylamino)butyl]imidazol-2-one
CID 80581681
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
1-(3-bromopropyl)-3-propylimidazol-2-one
CID 80580767
1-[2-(bromomethyl)pentyl]-3-propylimidazol-2-one
CID 80580486
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244
1-(4-aminopentyl)-3-propylimidazol-2-one
CID 80581550
1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
CID 106800521
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579653

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one (CID 80581732) is 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one is CCCNC(Cn1ccn(CCC)c1=O)C(C)CC.
What is the InChIKey of 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one?
The InChIKey is ZKBFPQGKDUCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-16-14(13(4)7-3)12-18-11-10-17(9-6-2)15(18)19/h10-11,13-14,16H,5-9,12H2,1-4H3.
What are the key properties of 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one?
1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one has a molecular weight of 267.42 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(propylamino)pentyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).