1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole

C26H28N6 — CID 102420307

IUPAC1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
SMILESCCCCn1c(-c2cnc(-c3nc4ccccc4n3CCCC)cn2)nc2ccccc21
InChIInChI=1S/C26H28N6/c1-3-5-15-31-23-13-9-7-11-19(23)29-25(31)21-17-28-22(18-27-21)26-30-20-12-8-10-14-24(20)32(26)16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKeyTWJSYJBRSOKYEZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP6.11
Rot. Bonds8

About 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole

1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole (PubChem CID 102420307) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
PubChem CID102420307
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
SMILESCCCCn1c(-c2cnc(-c3nc4ccccc4n3CCCC)cn2)nc2ccccc21
InChIInChI=1S/C26H28N6/c1-3-5-15-31-23-13-9-7-11-19(23)29-25(31)21-17-28-22(18-27-21)26-30-20-12-8-10-14-24(20)32(26)16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKeyTWJSYJBRSOKYEZ-UHFFFAOYSA-N
XLogP6.11
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
6-(1-octylbenzimidazol-2-yl)pyridine-2-carbaldehyde
CID 102300717
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole?
The IUPAC name of 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole (CID 102420307) is 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole?
The canonical SMILES for 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole is CCCCn1c(-c2cnc(-c3nc4ccccc4n3CCCC)cn2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole?
The InChIKey is TWJSYJBRSOKYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-3-5-15-31-23-13-9-7-11-19(23)29-25(31)21-17-28-22(18-27-21)26-30-20-12-8-10-14-24(20)32(26)16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3.
What are the key properties of 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole?
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole has a molecular weight of 424.55 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole is sourced from PubChem (CID 102420307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).