1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one

C16H23N3O — CID 80581733

IUPAC1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(NC)c2cccc(C)c2)c1=O
InChIInChI=1S/C16H23N3O/c1-4-8-18-9-10-19(16(18)20)12-15(17-3)14-7-5-6-13(2)11-14/h5-7,9-11,15,17H,4,8,12H2,1-3H3
InChIKeyDFZJSBXSNBONRQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds6

About 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one

1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one (PubChem CID 80581733) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
PubChem CID80581733
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(NC)c2cccc(C)c2)c1=O
InChIInChI=1S/C16H23N3O/c1-4-8-18-9-10-19(16(18)20)12-15(17-3)14-7-5-6-13(2)11-14/h5-7,9-11,15,17H,4,8,12H2,1-3H3
InChIKeyDFZJSBXSNBONRQ-UHFFFAOYSA-N
XLogP2.33
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
1-[2-amino-2-(3-methylphenyl)ethyl]-3-methylimidazol-2-one
CID 80580349
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
CID 80579333
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one (CID 80581733) is 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(NC)c2cccc(C)c2)c1=O.
What is the InChIKey of 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one?
The InChIKey is DFZJSBXSNBONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-18-9-10-19(16(18)20)12-15(17-3)14-7-5-6-13(2)11-14/h5-7,9-11,15,17H,4,8,12H2,1-3H3.
What are the key properties of 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one?
1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).