2-(5-methylfuran-2-yl)-1H-benzimidazole

C12H10N2O — CID 827976

IUPAC2-(5-methylfuran-2-yl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H10N2O/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
InChIKeyBLIMSOPINYXOID-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.13
Rot. Bonds1

About 2-(5-methylfuran-2-yl)-1H-benzimidazole

2-(5-methylfuran-2-yl)-1H-benzimidazole (PubChem CID 827976) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1H-benzimidazole
PubChem CID827976
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(5-methylfuran-2-yl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C12H10N2O/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
InChIKeyBLIMSOPINYXOID-UHFFFAOYSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-methylfuran-2-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-1H-benzimidazole (CID 827976) is 2-(5-methylfuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1H-benzimidazole is Cc1ccc(-c2nc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1H-benzimidazole?
The InChIKey is BLIMSOPINYXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(5-methylfuran-2-yl)-1H-benzimidazole?
2-(5-methylfuran-2-yl)-1H-benzimidazole has a molecular weight of 198.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 827976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).