2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole

C20H30N2 — CID 166657820

IUPAC2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole
SMILESCCC1N(C)C2=C(CCC=C2)N1C1C(C)=CC(C)=CC1(C)C
InChIInChI=1S/C20H30N2/c1-7-18-21(6)16-10-8-9-11-17(16)22(18)19-15(3)12-14(2)13-20(19,4)5/h8,10,12-13,18-19H,7,9,11H2,1-6H3
InChIKeyCPGAPNCSGGFDIA-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.83
Rot. Bonds2

About 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole

2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole (PubChem CID 166657820) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole
PubChem CID166657820
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole
SMILESCCC1N(C)C2=C(CCC=C2)N1C1C(C)=CC(C)=CC1(C)C
InChIInChI=1S/C20H30N2/c1-7-18-21(6)16-10-8-9-11-17(16)22(18)19-15(3)12-14(2)13-20(19,4)5/h8,10,12-13,18-19H,7,9,11H2,1-6H3
InChIKeyCPGAPNCSGGFDIA-UHFFFAOYSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole?
The IUPAC name of 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole (CID 166657820) is 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole.
What is the SMILES notation for 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole?
The canonical SMILES for 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole is CCC1N(C)C2=C(CCC=C2)N1C1C(C)=CC(C)=CC1(C)C.
What is the InChIKey of 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole?
The InChIKey is CPGAPNCSGGFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-7-18-21(6)16-10-8-9-11-17(16)22(18)19-15(3)12-14(2)13-20(19,4)5/h8,10,12-13,18-19H,7,9,11H2,1-6H3.
What are the key properties of 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole?
2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole has a molecular weight of 298.47 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole is sourced from PubChem (CID 166657820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).