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

C15H14N4O — CID 137265876

IUPAC2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3=NNC(c4ccco4)C3)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-9-4-5-10-11(7-9)17-15(16-10)13-8-12(18-19-13)14-3-2-6-20-14/h2-7,12,18H,8H2,1H3,(H,16,17)
InChIKeyVIFCLAZXVZWGMJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.90
Rot. Bonds2

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

2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 137265876) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole
PubChem CID137265876
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3=NNC(c4ccco4)C3)[nH]c2c1
InChIInChI=1S/C15H14N4O/c1-9-4-5-10-11(7-9)17-15(16-10)13-8-12(18-19-13)14-3-2-6-20-14/h2-7,12,18H,8H2,1H3,(H,16,17)
InChIKeyVIFCLAZXVZWGMJ-UHFFFAOYSA-N
XLogP2.90
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole (CID 137265876) is 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3=NNC(c4ccco4)C3)[nH]c2c1.
What is the InChIKey of 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is VIFCLAZXVZWGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-4-5-10-11(7-9)17-15(16-10)13-8-12(18-19-13)14-3-2-6-20-14/h2-7,12,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole?
2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 266.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 137265876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).