2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole

C20H18N2O — CID 129161859

IUPAC2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)o1
InChIInChI=1S/C20H18N2O/c1-14-7-3-4-8-16(14)13-22-18-10-6-5-9-17(18)21-20(22)19-12-11-15(2)23-19/h3-12H,13H2,1-2H3
InChIKeyJDVIKRJYUKDPTM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.96
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole

2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 129161859) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID129161859
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)o1
InChIInChI=1S/C20H18N2O/c1-14-7-3-4-8-16(14)13-22-18-10-6-5-9-17(18)21-20(22)19-12-11-15(2)23-19/h3-12H,13H2,1-2H3
InChIKeyJDVIKRJYUKDPTM-UHFFFAOYSA-N
XLogP4.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole (CID 129161859) is 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is JDVIKRJYUKDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-7-3-4-8-16(14)13-22-18-10-6-5-9-17(18)21-20(22)19-12-11-15(2)23-19/h3-12H,13H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole?
2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 302.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 129161859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).