azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C22H31N3 — CID 69090698

IUPACazane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCCc1ccc2c(nc(Cc3c(C)cc(C)cc3C)n2C)c1CC.N
InChIInChI=1S/C22H28N2.H3N/c1-7-17-9-10-20-22(18(17)8-2)23-21(24(20)6)13-19-15(4)11-14(3)12-16(19)5;/h9-12H,7-8,13H2,1-6H3;1H3
InChIKeyLKAZIOYWHQLBRL-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.38
Rot. Bonds4

About azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole

azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 69090698) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Nameazane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID69090698
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Nameazane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCCc1ccc2c(nc(Cc3c(C)cc(C)cc3C)n2C)c1CC.N
InChIInChI=1S/C22H28N2.H3N/c1-7-17-9-10-20-22(18(17)8-2)23-21(24(20)6)13-19-15(4)11-14(3)12-16(19)5;/h9-12H,7-8,13H2,1-6H3;1H3
InChIKeyLKAZIOYWHQLBRL-UHFFFAOYSA-N
XLogP5.38
TPSA52.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 69090698) is azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole is CCc1ccc2c(nc(Cc3c(C)cc(C)cc3C)n2C)c1CC.N.
What is the InChIKey of azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is LKAZIOYWHQLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2.H3N/c1-7-17-9-10-20-22(18(17)8-2)23-21(24(20)6)13-19-15(4)11-14(3)12-16(19)5;/h9-12H,7-8,13H2,1-6H3;1H3.
What are the key properties of azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 337.51 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 69090698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).