1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole

C26H34N4 — CID 101260842

IUPAC1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
SMILESCCCCn1c(C(CCC)c2nc3ccccc3n2CCCC)nc2ccccc21
InChIInChI=1S/C26H34N4/c1-4-7-18-29-23-16-11-9-14-21(23)27-25(29)20(13-6-3)26-28-22-15-10-12-17-24(22)30(26)19-8-5-2/h9-12,14-17,20H,4-8,13,18-19H2,1-3H3
InChIKeyRNCMTEPQJSBCKS-UHFFFAOYSA-N
MW402.59 g/mol
LogP6.92
Rot. Bonds10

About 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole

1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole (PubChem CID 101260842) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
PubChem CID101260842
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
SMILESCCCCn1c(C(CCC)c2nc3ccccc3n2CCCC)nc2ccccc21
InChIInChI=1S/C26H34N4/c1-4-7-18-29-23-16-11-9-14-21(23)27-25(29)20(13-6-3)26-28-22-15-10-12-17-24(22)30(26)19-8-5-2/h9-12,14-17,20H,4-8,13,18-19H2,1-3H3
InChIKeyRNCMTEPQJSBCKS-UHFFFAOYSA-N
XLogP6.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane
CID 158515272
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878314
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole?
The IUPAC name of 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole (CID 101260842) is 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole is CCCCn1c(C(CCC)c2nc3ccccc3n2CCCC)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole?
The InChIKey is RNCMTEPQJSBCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1-4-7-18-29-23-16-11-9-14-21(23)27-25(29)20(13-6-3)26-28-22-15-10-12-17-24(22)30(26)19-8-5-2/h9-12,14-17,20H,4-8,13,18-19H2,1-3H3.
What are the key properties of 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole?
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole has a molecular weight of 402.59 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole is sourced from PubChem (CID 101260842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).