2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine

C15H13N3O — CID 55213366

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESc1ccc2c(c1)CC(c1nc3ccncc3[nH]1)CO2
InChIInChI=1S/C15H13N3O/c1-2-4-14-10(3-1)7-11(9-19-14)15-17-12-5-6-16-8-13(12)18-15/h1-6,8,11H,7,9H2,(H,17,18)
InChIKeyNASBEXPAZGODCU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine

2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 55213366) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID55213366
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESc1ccc2c(c1)CC(c1nc3ccncc3[nH]1)CO2
InChIInChI=1S/C15H13N3O/c1-2-4-14-10(3-1)7-11(9-19-14)15-17-12-5-6-16-8-13(12)18-15/h1-6,8,11H,7,9H2,(H,17,18)
InChIKeyNASBEXPAZGODCU-UHFFFAOYSA-N
XLogP2.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine (CID 55213366) is 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine is c1ccc2c(c1)CC(c1nc3ccncc3[nH]1)CO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is NASBEXPAZGODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-14-10(3-1)7-11(9-19-14)15-17-12-5-6-16-8-13(12)18-15/h1-6,8,11H,7,9H2,(H,17,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine?
2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 251.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 55213366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).