1-butan-2-ylchromeno[3,4-d]imidazol-4-one

C14H14N2O2 — CID 2842825

IUPAC1-butan-2-ylchromeno[3,4-d]imidazol-4-one
SMILESCCC(C)n1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H14N2O2/c1-3-9(2)16-8-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-9H,3H2,1-2H3
InChIKeyBBXPLEOOEGUFNR-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.11
Rot. Bonds2

About 1-butan-2-ylchromeno[3,4-d]imidazol-4-one

1-butan-2-ylchromeno[3,4-d]imidazol-4-one (PubChem CID 2842825) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-butan-2-ylchromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-butan-2-ylchromeno[3,4-d]imidazol-4-one
PubChem CID2842825
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-butan-2-ylchromeno[3,4-d]imidazol-4-one
SMILESCCC(C)n1cnc2c(=O)oc3ccccc3c21
InChIInChI=1S/C14H14N2O2/c1-3-9(2)16-8-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-9H,3H2,1-2H3
InChIKeyBBXPLEOOEGUFNR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-butan-2-ylchromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-butan-2-ylchromeno[3,4-d]imidazol-4-one (CID 2842825) is 1-butan-2-ylchromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-butan-2-ylchromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-butan-2-ylchromeno[3,4-d]imidazol-4-one is CCC(C)n1cnc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-butan-2-ylchromeno[3,4-d]imidazol-4-one?
The InChIKey is BBXPLEOOEGUFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-9(2)16-8-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-9H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylchromeno[3,4-d]imidazol-4-one?
1-butan-2-ylchromeno[3,4-d]imidazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylchromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 2842825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).