1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole

C30H30N2O — CID 167073720

IUPAC1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC(C)C(N2c3ccccc3N(C)C2c2c(C)ccc3c2oc2ccccc23)C(C)=C1
InChIInChI=1S/C30H30N2O/c1-18-16-20(3)28(21(4)17-18)32-25-12-8-7-11-24(25)31(5)30(32)27-19(2)14-15-23-22-10-6-9-13-26(22)33-29(23)27/h6-17,20,28,30H,1-5H3
InChIKeyGZPIUTINUKAQRM-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.76
Rot. Bonds2

About 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole

1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole (PubChem CID 167073720) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
PubChem CID167073720
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC(C)C(N2c3ccccc3N(C)C2c2c(C)ccc3c2oc2ccccc23)C(C)=C1
InChIInChI=1S/C30H30N2O/c1-18-16-20(3)28(21(4)17-18)32-25-12-8-7-11-24(25)31(5)30(32)27-19(2)14-15-23-22-10-6-9-13-26(22)33-29(23)27/h6-17,20,28,30H,1-5H3
InChIKeyGZPIUTINUKAQRM-UHFFFAOYSA-N
XLogP7.76
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295351
1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
CID 144815866
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 146532214
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
CID 162295355
bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 159836234
bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296577
(2S)-4-isocyano-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 153430535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole?
The IUPAC name of 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole (CID 167073720) is 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole.
What is the SMILES notation for 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole?
The canonical SMILES for 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole is CC1=CC(C)C(N2c3ccccc3N(C)C2c2c(C)ccc3c2oc2ccccc23)C(C)=C1.
What is the InChIKey of 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole?
The InChIKey is GZPIUTINUKAQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-18-16-20(3)28(21(4)17-18)32-25-12-8-7-11-24(25)31(5)30(32)27-19(2)14-15-23-22-10-6-9-13-26(22)33-29(23)27/h6-17,20,28,30H,1-5H3.
What are the key properties of 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole?
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole has a molecular weight of 434.58 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole is sourced from PubChem (CID 167073720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).