4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole

C15H20N2 — CID 118336706

IUPAC4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
SMILESCCc1cccc2c1nc(C(C)=C(C)C)n2C
InChIInChI=1S/C15H20N2/c1-6-12-8-7-9-13-14(12)16-15(17(13)5)11(4)10(2)3/h7-9H,6H2,1-5H3
InChIKeyRAESOYGMMJBQDS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.95
Rot. Bonds2

About 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole

4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole (PubChem CID 118336706) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
PubChem CID118336706
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
SMILESCCc1cccc2c1nc(C(C)=C(C)C)n2C
InChIInChI=1S/C15H20N2/c1-6-12-8-7-9-13-14(12)16-15(17(13)5)11(4)10(2)3/h7-9H,6H2,1-5H3
InChIKeyRAESOYGMMJBQDS-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole?
The IUPAC name of 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole (CID 118336706) is 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole.
What is the SMILES notation for 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole?
The canonical SMILES for 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole is CCc1cccc2c1nc(C(C)=C(C)C)n2C.
What is the InChIKey of 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole?
The InChIKey is RAESOYGMMJBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-6-12-8-7-9-13-14(12)16-15(17(13)5)11(4)10(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole?
4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole has a molecular weight of 228.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole is sourced from PubChem (CID 118336706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).