2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one

C10H14N2O — CID 10176362

IUPAC2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
SMILESCCc1nc2c([nH]1)CCCCC2=O
InChIInChI=1S/C10H14N2O/c1-2-9-11-7-5-3-4-6-8(13)10(7)12-9/h2-6H2,1H3,(H,11,12)
InChIKeyKIWTWPCJBJRAMX-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.88
Rot. Bonds1

About 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one

2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one (PubChem CID 10176362) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
PubChem CID10176362
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
SMILESCCc1nc2c([nH]1)CCCCC2=O
InChIInChI=1S/C10H14N2O/c1-2-9-11-7-5-3-4-6-8(13)10(7)12-9/h2-6H2,1H3,(H,11,12)
InChIKeyKIWTWPCJBJRAMX-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one (CID 10176362) is 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one is CCc1nc2c([nH]1)CCCCC2=O.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The InChIKey is KIWTWPCJBJRAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-9-11-7-5-3-4-6-8(13)10(7)12-9/h2-6H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one is sourced from PubChem (CID 10176362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).