1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one

C17H18N2O2 — CID 22434306

IUPAC1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2c1ncn2CC1CCCCC1
InChIInChI=1S/C17H18N2O2/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyZBIAMFWBSPQLTO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.72
Rot. Bonds2

About 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one

1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one (PubChem CID 22434306) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
PubChem CID22434306
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2c1ncn2CC1CCCCC1
InChIInChI=1S/C17H18N2O2/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyZBIAMFWBSPQLTO-UHFFFAOYSA-N
XLogP3.72
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethyl)chromeno[3,4-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 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one (CID 22434306) is 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one is O=c1oc2ccccc2c2c1ncn2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one?
The InChIKey is ZBIAMFWBSPQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2.
What are the key properties of 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one?
1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 22434306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).