5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one

C11H15N3OS — CID 79968215

IUPAC5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2CC)s1
InChIInChI=1S/C11H15N3OS/c1-3-7-5-6-8(16-7)9-10(12)13-11(15)14(9)4-2/h5-6,9H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyDQHUMAJCWSMGET-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.16
Rot. Bonds3

About 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one

5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one (PubChem CID 79968215) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
PubChem CID79968215
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2CC)s1
InChIInChI=1S/C11H15N3OS/c1-3-7-5-6-8(16-7)9-10(12)13-11(15)14(9)4-2/h5-6,9H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyDQHUMAJCWSMGET-UHFFFAOYSA-N
XLogP2.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79960510
5-amino-3-(cyclopropylmethyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79985888
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
CID 102845835
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-3-ethyl-4-(2-methylquinolin-6-yl)-4H-imidazol-2-one
CID 105379816

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one (CID 79968215) is 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one is CCc1ccc(C2C(N)=NC(=O)N2CC)s1.
What is the InChIKey of 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The InChIKey is DQHUMAJCWSMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-7-5-6-8(16-7)9-10(12)13-11(15)14(9)4-2/h5-6,9H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one has a molecular weight of 237.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79968215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).