1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one

C14H19N3O — CID 80582374

IUPAC1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
SMILESCCn1ccn(CCNc2ccccc2C)c1=O
InChIInChI=1S/C14H19N3O/c1-3-16-10-11-17(14(16)18)9-8-15-13-7-5-4-6-12(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyRLKDHLKPBVROAQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds5

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

1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one (PubChem CID 80582374) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
PubChem CID80582374
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
SMILESCCn1ccn(CCNc2ccccc2C)c1=O
InChIInChI=1S/C14H19N3O/c1-3-16-10-11-17(14(16)18)9-8-15-13-7-5-4-6-12(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyRLKDHLKPBVROAQ-UHFFFAOYSA-N
XLogP2.09
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one (CID 80582374) is 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one is CCn1ccn(CCNc2ccccc2C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one?
The InChIKey is RLKDHLKPBVROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-16-10-11-17(14(16)18)9-8-15-13-7-5-4-6-12(13)2/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one?
1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one is sourced from PubChem (CID 80582374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).