2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole

C18H14N2O — CID 168553508

IUPAC2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
SMILESCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C18H14N2O/c1-12-9-10-17(21-12)13-5-4-6-14(11-13)18-19-15-7-2-3-8-16(15)20-18/h2-11H,1H3,(H,19,20)
InChIKeyMLVNMJHINHVPPM-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.80
Rot. Bonds2

About 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole

2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole (PubChem CID 168553508) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
PubChem CID168553508
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
SMILESCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)o1
InChIInChI=1S/C18H14N2O/c1-12-9-10-17(21-12)13-5-4-6-14(11-13)18-19-15-7-2-3-8-16(15)20-18/h2-11H,1H3,(H,19,20)
InChIKeyMLVNMJHINHVPPM-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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Related Compounds

2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334844
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole (CID 168553508) is 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole is Cc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is MLVNMJHINHVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-9-10-17(21-12)13-5-4-6-14(11-13)18-19-15-7-2-3-8-16(15)20-18/h2-11H,1H3,(H,19,20).
What are the key properties of 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole?
2-[3-(5-methylfuran-2-yl)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 2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).