1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H19N3O — CID 64857739

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C1CCOc3ccccc31)CCNC2
InChIInChI=1S/C16H19N3O/c1-11-18-13-10-17-8-6-15(13)19(11)14-7-9-20-16-5-3-2-4-12(14)16/h2-5,14,17H,6-10H2,1H3
InChIKeyBNGDGVRUCOCRGK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.21
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857739) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857739
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C1CCOc3ccccc31)CCNC2
InChIInChI=1S/C16H19N3O/c1-11-18-13-10-17-8-6-15(13)19(11)14-7-9-20-16-5-3-2-4-12(14)16/h2-5,14,17H,6-10H2,1H3
InChIKeyBNGDGVRUCOCRGK-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857739) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nc2c(n1C1CCOc3ccccc31)CCNC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BNGDGVRUCOCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-18-13-10-17-8-6-15(13)19(11)14-7-9-20-16-5-3-2-4-12(14)16/h2-5,14,17H,6-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 269.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).