4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole

C18H14N2O — CID 150866167

IUPAC4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3ccccc3)nc2c1-c1ccoc1
InChIInChI=1S/C18H14N2O/c1-12-7-8-15-17(16(12)14-9-10-21-11-14)20-18(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)
InChIKeyKTCCADYUTJSSCQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.80
Rot. Bonds2

About 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole

4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole (PubChem CID 150866167) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole
PubChem CID150866167
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3ccccc3)nc2c1-c1ccoc1
InChIInChI=1S/C18H14N2O/c1-12-7-8-15-17(16(12)14-9-10-21-11-14)20-18(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)
InChIKeyKTCCADYUTJSSCQ-UHFFFAOYSA-N
XLogP4.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole?
The IUPAC name of 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole (CID 150866167) is 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole?
The canonical SMILES for 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole is Cc1ccc2[nH]c(-c3ccccc3)nc2c1-c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole?
The InChIKey is KTCCADYUTJSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-7-8-15-17(16(12)14-9-10-21-11-14)20-18(19-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20).
What are the key properties of 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole?
4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole has a molecular weight of 274.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-5-methyl-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 150866167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).