3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one

C13H17N3O — CID 103124633

IUPAC3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
SMILESCCNC(C)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C13H17N3O/c1-3-14-10(2)11-5-4-6-12(9-11)16-8-7-15-13(16)17/h4-10,14H,3H2,1-2H3,(H,15,17)
InChIKeyWSKUSTKMAWOGTC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds4

About 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one

3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one (PubChem CID 103124633) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
PubChem CID103124633
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
SMILESCCNC(C)c1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C13H17N3O/c1-3-14-10(2)11-5-4-6-12(9-11)16-8-7-15-13(16)17/h4-10,14H,3H2,1-2H3,(H,15,17)
InChIKeyWSKUSTKMAWOGTC-UHFFFAOYSA-N
XLogP1.84
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(ethylamino)ethyl]phenyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876298
3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
CID 60934772
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
CID 79678083
1-[3-(3,5-diethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82694896
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 79170870
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
CID 79170940
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one
CID 117330730
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170436
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one (CID 103124633) is 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one is CCNC(C)c1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one?
The InChIKey is WSKUSTKMAWOGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-14-10(2)11-5-4-6-12(9-11)16-8-7-15-13(16)17/h4-10,14H,3H2,1-2H3,(H,15,17).
What are the key properties of 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one?
3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).