2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide

C23H39BrN2 — CID 174989924

IUPAC2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
SMILESBr.CCCCc1nc2c(CCCC)c(CCCC)c(CCCC)cc2[nH]1
InChIInChI=1S/C23H38N2.BrH/c1-5-9-13-18-17-21-23(25-22(24-21)16-12-8-4)20(15-11-7-3)19(18)14-10-6-2;/h17H,5-16H2,1-4H3,(H,24,25);1H
InChIKeyARRDPODSJDVAKN-UHFFFAOYSA-N
MW423.48 g/mol
LogP7.51
Rot. Bonds12

About 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide

2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide (PubChem CID 174989924) has the molecular formula C23H39BrN2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide.

Molecular Properties

Compound Name2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
PubChem CID174989924
Molecular FormulaC23H39BrN2
Molecular Weight423.48 g/mol
Exact Mass422.23
IUPAC Name2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
SMILESBr.CCCCc1nc2c(CCCC)c(CCCC)c(CCCC)cc2[nH]1
InChIInChI=1S/C23H38N2.BrH/c1-5-9-13-18-17-21-23(25-22(24-21)16-12-8-4)20(15-11-7-3)19(18)14-10-6-2;/h17H,5-16H2,1-4H3,(H,24,25);1H
InChIKeyARRDPODSJDVAKN-UHFFFAOYSA-N
XLogP7.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 172604036
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
CID 76850733
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532
1,2,3,4-tetrabutylbenzene
CID 11220391
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
4-butyl-2,5-dimethyl-1H-benzimidazole
CID 174213489
4-bromo-5-methyl-2-tetradecyl-1H-imidazole
CID 101319947

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide?
The IUPAC name of 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide (CID 174989924) is 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide.
What is the SMILES notation for 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide?
The canonical SMILES for 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide is Br.CCCCc1nc2c(CCCC)c(CCCC)c(CCCC)cc2[nH]1.
What is the InChIKey of 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide?
The InChIKey is ARRDPODSJDVAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2.BrH/c1-5-9-13-18-17-21-23(25-22(24-21)16-12-8-4)20(15-11-7-3)19(18)14-10-6-2;/h17H,5-16H2,1-4H3,(H,24,25);1H.
What are the key properties of 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide?
2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide has a molecular weight of 423.48 g/mol, XLogP of 7.51, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide is sourced from PubChem (CID 174989924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).