1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one

C15H21N3O — CID 80582385

IUPAC1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCNc2ccc(C)cc2)c1=O
InChIInChI=1S/C15H21N3O/c1-3-9-17-11-12-18(15(17)19)10-8-16-14-6-4-13(2)5-7-14/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyCTBPFOXVBXSFSF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one

1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one (PubChem CID 80582385) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
PubChem CID80582385
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCNc2ccc(C)cc2)c1=O
InChIInChI=1S/C15H21N3O/c1-3-9-17-11-12-18(15(17)19)10-8-16-14-6-4-13(2)5-7-14/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyCTBPFOXVBXSFSF-UHFFFAOYSA-N
XLogP2.48
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
CID 63172665
1-[2-(4-chloroanilino)ethyl]-3-methylimidazol-2-one
CID 80582550
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-[2-(4-fluoroanilino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582579
4-methyl-N-octylaniline
CID 11816856
1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
CID 80582374
1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
CID 116624740
5-chloro-1-[2-(4-methylanilino)ethyl]pyrimidine-2,4-dione
CID 66424589
1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one
CID 80582362
1-[(5-fluoro-2-methylphenyl)methyl]-3-propylimidazol-2-one
CID 105375364
1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one
CID 116624684

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one (CID 80582385) is 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCNc2ccc(C)cc2)c1=O.
What is the InChIKey of 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one?
The InChIKey is CTBPFOXVBXSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-17-11-12-18(15(17)19)10-8-16-14-6-4-13(2)5-7-14/h4-7,11-12,16H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one?
1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80582385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).