2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole

C20H18N4O — CID 44563154

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1[nH]ncc1-c1ccc2nc(C3COc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C20H18N4O/c1-12-16(10-21-24-12)13-6-7-17-18(9-13)23-20(22-17)15-8-14-4-2-3-5-19(14)25-11-15/h2-7,9-10,15H,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOFHDLGOCCWHMKV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.98
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole

2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole (PubChem CID 44563154) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
PubChem CID44563154
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
SMILESCc1[nH]ncc1-c1ccc2nc(C3COc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C20H18N4O/c1-12-16(10-21-24-12)13-6-7-17-18(9-13)23-20(22-17)15-8-14-4-2-3-5-19(14)25-11-15/h2-7,9-10,15H,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOFHDLGOCCWHMKV-UHFFFAOYSA-N
XLogP3.98
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.98
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-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole (CID 44563154) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole is Cc1[nH]ncc1-c1ccc2nc(C3COc4ccccc4C3)[nH]c2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
The InChIKey is OFHDLGOCCWHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-16(10-21-24-12)13-6-7-17-18(9-13)23-20(22-17)15-8-14-4-2-3-5-19(14)25-11-15/h2-7,9-10,15H,8,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole has a molecular weight of 330.39 g/mol, XLogP of 3.98, 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-(5-methyl-1H-pyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 44563154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).