1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole

C14H14N2O — CID 168526896

IUPAC1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
SMILESCCn1c(C)nc2cc(-c3ccco3)ccc21
InChIInChI=1S/C14H14N2O/c1-3-16-10(2)15-12-9-11(6-7-13(12)16)14-5-4-8-17-14/h4-9H,3H2,1-2H3
InChIKeyFPYCADXIWQFTFU-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.62
Rot. Bonds2

About 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole

1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole (PubChem CID 168526896) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
PubChem CID168526896
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
SMILESCCn1c(C)nc2cc(-c3ccco3)ccc21
InChIInChI=1S/C14H14N2O/c1-3-16-10(2)15-12-9-11(6-7-13(12)16)14-5-4-8-17-14/h4-9H,3H2,1-2H3
InChIKeyFPYCADXIWQFTFU-UHFFFAOYSA-N
XLogP3.62
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168525844
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
5-(furan-2-yl)-1-methylbenzotriazole
CID 168525527
4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 96679580
2-butyl-5-(furan-2-yl)-1,3-benzoxazole
CID 168526990
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310701
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27166329
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
CID 82500246
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole?
The IUPAC name of 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole (CID 168526896) is 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole is CCn1c(C)nc2cc(-c3ccco3)ccc21.
What is the InChIKey of 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole?
The InChIKey is FPYCADXIWQFTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-16-10(2)15-12-9-11(6-7-13(12)16)14-5-4-8-17-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole?
1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole has a molecular weight of 226.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 168526896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).