6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole

C22H26N4 — CID 54132901

IUPAC6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C22H26N4/c1-2-3-4-5-6-7-12-21-23-19-14-13-16(15-20(19)24-21)22-25-17-10-8-9-11-18(17)26-22/h8-11,13-15H,2-7,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyHCBQFUGYNHDUAA-UHFFFAOYSA-N
MW346.48 g/mol
LogP6.01
Rot. Bonds8

About 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole

6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole (PubChem CID 54132901) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
PubChem CID54132901
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
SMILESCCCCCCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C22H26N4/c1-2-3-4-5-6-7-12-21-23-19-14-13-16(15-20(19)24-21)22-25-17-10-8-9-11-18(17)26-22/h8-11,13-15H,2-7,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyHCBQFUGYNHDUAA-UHFFFAOYSA-N
XLogP6.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 56.01
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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Related Compounds

3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
2-docosyl-1H-benzimidazole
CID 141189761
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
CID 139823353
2-(2-decylsulfanylethyl)-1H-benzimidazole
CID 139610484

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole (CID 54132901) is 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole is CCCCCCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole?
The InChIKey is HCBQFUGYNHDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-3-4-5-6-7-12-21-23-19-14-13-16(15-20(19)24-21)22-25-17-10-8-9-11-18(17)26-22/h8-11,13-15H,2-7,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole?
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole has a molecular weight of 346.48 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole is sourced from PubChem (CID 54132901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).