2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole

C21H17N3O — CID 44563186

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4ccncc4)cc3[nH]1)CO2
InChIInChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24)
InChIKeyDRJUMLWNSGFXRJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.34
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole

2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole (PubChem CID 44563186) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole
PubChem CID44563186
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4ccncc4)cc3[nH]1)CO2
InChIInChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24)
InChIKeyDRJUMLWNSGFXRJ-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.34
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)-6-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole (CID 44563186) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole is c1ccc2c(c1)CC(c1nc3ccc(-c4ccncc4)cc3[nH]1)CO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole?
The InChIKey is DRJUMLWNSGFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazole has a molecular weight of 327.39 g/mol, XLogP of 4.34, 2 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)-6-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 44563186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).