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

C22H26N4 — CID 4014777

IUPAC1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
SMILESCCCCn1c(-c2nc3ccccc3n2CCCC)nc2ccccc21
InChIInChI=1S/C22H26N4/c1-3-5-15-25-19-13-9-7-11-17(19)23-21(25)22-24-18-12-8-10-14-20(18)26(22)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeyNFMJBSNMKKUAPJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.65
Rot. Bonds7

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

1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole (PubChem CID 4014777) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole.

Molecular Properties

Compound Name1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
PubChem CID4014777
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
SMILESCCCCn1c(-c2nc3ccccc3n2CCCC)nc2ccccc21
InChIInChI=1S/C22H26N4/c1-3-5-15-25-19-13-9-7-11-17(19)23-21(25)22-24-18-12-8-10-14-20(18)26(22)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeyNFMJBSNMKKUAPJ-UHFFFAOYSA-N
XLogP5.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-dodecyl-2-(2-methylphenyl)benzimidazole
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4-(1-pentylbenzimidazol-2-yl)aniline
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1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(furan-2-yl)-1-hexylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole?
The IUPAC name of 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole (CID 4014777) is 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole.
What is the SMILES notation for 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole?
The canonical SMILES for 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole is CCCCn1c(-c2nc3ccccc3n2CCCC)nc2ccccc21.
What is the InChIKey of 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole?
The InChIKey is NFMJBSNMKKUAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-5-15-25-19-13-9-7-11-17(19)23-21(25)22-24-18-12-8-10-14-20(18)26(22)16-6-4-2/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole?
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole has a molecular weight of 346.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole is sourced from PubChem (CID 4014777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).