2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole

C26H34N4 — CID 11429566

IUPAC2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C26H34N4/c1(3-5-7-9-19-25-27-21-15-11-12-16-22(21)28-25)2-4-6-8-10-20-26-29-23-17-13-14-18-24(23)30-26/h11-18H,1-10,19-20H2,(H,27,28)(H,29,30)
InChIKeyAFAYRKIJWUZNII-UHFFFAOYSA-N
MW402.59 g/mol
LogP7.13
Rot. Bonds13

About 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole

2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole (PubChem CID 11429566) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole
PubChem CID11429566
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C26H34N4/c1(3-5-7-9-19-25-27-21-15-11-12-16-22(21)28-25)2-4-6-8-10-20-26-29-23-17-13-14-18-24(23)30-26/h11-18H,1-10,19-20H2,(H,27,28)(H,29,30)
InChIKeyAFAYRKIJWUZNII-UHFFFAOYSA-N
XLogP7.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole?
The IUPAC name of 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole (CID 11429566) is 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole.
What is the SMILES notation for 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole?
The canonical SMILES for 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole is c1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole?
The InChIKey is AFAYRKIJWUZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1(3-5-7-9-19-25-27-21-15-11-12-16-22(21)28-25)2-4-6-8-10-20-26-29-23-17-13-14-18-24(23)30-26/h11-18H,1-10,19-20H2,(H,27,28)(H,29,30).
What are the key properties of 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole?
2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole has a molecular weight of 402.59 g/mol, XLogP of 7.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(1H-benzimidazol-2-yl)dodecyl]-1H-benzimidazole is sourced from PubChem (CID 11429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).