2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C22H22N2O — CID 20930570

IUPAC2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(-c3ccc(C)o3)nc3ccccc32)c(C)c1
InChIInChI=1S/C22H22N2O/c1-14-11-15(2)18(16(3)12-14)13-24-20-8-6-5-7-19(20)23-22(24)21-10-9-17(4)25-21/h5-12H,13H2,1-4H3
InChIKeyHLECICCYNIBTNR-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.58
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 20930570) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID20930570
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(-c3ccc(C)o3)nc3ccccc32)c(C)c1
InChIInChI=1S/C22H22N2O/c1-14-11-15(2)18(16(3)12-14)13-24-20-8-6-5-7-19(20)23-22(24)21-10-9-17(4)25-21/h5-12H,13H2,1-4H3
InChIKeyHLECICCYNIBTNR-UHFFFAOYSA-N
XLogP5.58
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 129161859
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 17001144
2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18811353
5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 129161900
5-chloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161925
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069
2-(4-methoxyphenyl)-N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972690
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161938

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 20930570) is 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2c(-c3ccc(C)o3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is HLECICCYNIBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-14-11-15(2)18(16(3)12-14)13-24-20-8-6-5-7-19(20)23-22(24)21-10-9-17(4)25-21/h5-12H,13H2,1-4H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 330.43 g/mol, XLogP of 5.58, 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-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 20930570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).