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

C19H16N4O — CID 44563153

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2
InChIInChI=1S/C19H16N4O/c1-2-4-18-13(3-1)7-14(11-24-18)19-22-16-6-5-12(8-17(16)23-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)(H,22,23)
InChIKeyHXRUCDRLUOIELR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.67
Rot. Bonds2

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

2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 44563153) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID44563153
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2
InChIInChI=1S/C19H16N4O/c1-2-4-18-13(3-1)7-14(11-24-18)19-22-16-6-5-12(8-17(16)23-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)(H,22,23)
InChIKeyHXRUCDRLUOIELR-UHFFFAOYSA-N
XLogP3.67
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
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-(1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole (CID 44563153) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole is c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3[nH]1)CO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is HXRUCDRLUOIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-4-18-13(3-1)7-14(11-24-18)19-22-16-6-5-12(8-17(16)23-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)(H,22,23).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 316.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 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-(1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 44563153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).