2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole

C22H26N4 — CID 101449351

IUPAC2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCCCCc1nc2ccc(-c3ccc4nc(CCCC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C22H26N4/c1-3-5-7-21-23-17-11-9-15(13-19(17)25-21)16-10-12-18-20(14-16)26-22(24-18)8-6-4-2/h9-14H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPCWUZXYBXOLPDE-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.79
Rot. Bonds7

About 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole

2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole (PubChem CID 101449351) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
PubChem CID101449351
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
SMILESCCCCc1nc2ccc(-c3ccc4nc(CCCC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C22H26N4/c1-3-5-7-21-23-17-11-9-15(13-19(17)25-21)16-10-12-18-20(14-16)26-22(24-18)8-6-4-2/h9-14H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPCWUZXYBXOLPDE-UHFFFAOYSA-N
XLogP5.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3H-benzimidazol-5-amine
CID 23301932
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
6-nitro-2-undecyl-1H-benzimidazole
CID 163965028
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-docosyl-1H-benzimidazole
CID 141189761
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 126561262

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole (CID 101449351) is 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole is CCCCc1nc2ccc(-c3ccc4nc(CCCC)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
The InChIKey is PCWUZXYBXOLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-5-7-21-23-17-11-9-15(13-19(17)25-21)16-10-12-18-20(14-16)26-22(24-18)8-6-4-2/h9-14H,3-8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole?
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole has a molecular weight of 346.48 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 101449351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).