1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one

C14H14N2O2 — CID 2843181

IUPAC1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one
SMILESCC(C)Cn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H14N2O2/c1-9(2)7-16-8-15-12-13(16)10-5-3-4-6-11(10)18-14(12)17/h3-6,8-9H,7H2,1-2H3
InChIKeyIFFJUODAFLMRLJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one

1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one (PubChem CID 2843181) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one
PubChem CID2843181
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one
SMILESCC(C)Cn1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H14N2O2/c1-9(2)7-16-8-15-12-13(16)10-5-3-4-6-11(10)18-14(12)17/h3-6,8-9H,7H2,1-2H3
InChIKeyIFFJUODAFLMRLJ-UHFFFAOYSA-N
XLogP2.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one (CID 2843181) is 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one is CC(C)Cn1cnc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one?
The InChIKey is IFFJUODAFLMRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(2)7-16-8-15-12-13(16)10-5-3-4-6-11(10)18-14(12)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one?
1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 2843181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).