5,6-dimethyl-1-nonylbenzimidazole

C18H28N2 — CID 16994999

IUPAC5,6-dimethyl-1-nonylbenzimidazole
SMILESCCCCCCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N2/c1-4-5-6-7-8-9-10-11-20-14-19-17-12-15(2)16(3)13-18(17)20/h12-14H,4-11H2,1-3H3
InChIKeySQNNMAYNBRCWTA-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.40
Rot. Bonds8

About 5,6-dimethyl-1-nonylbenzimidazole

5,6-dimethyl-1-nonylbenzimidazole (PubChem CID 16994999) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5,6-dimethyl-1-nonylbenzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-nonylbenzimidazole
PubChem CID16994999
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5,6-dimethyl-1-nonylbenzimidazole
SMILESCCCCCCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N2/c1-4-5-6-7-8-9-10-11-20-14-19-17-12-15(2)16(3)13-18(17)20/h12-14H,4-11H2,1-3H3
InChIKeySQNNMAYNBRCWTA-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-N-octyloctan-1-amine
CID 134294647
1-(3-ethylsulfanylpropyl)-5,6-dimethylbenzimidazole
CID 115650935
1-hept-6-enyl-5,6-dimethylbenzimidazole
CID 107010217
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
CID 63502282
1-[2-(2-butoxyphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 2231812
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256
1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
CID 18593123
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422
6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine
CID 106800242
5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
CID 54966278
1-[4-(2,4-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995055

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-nonylbenzimidazole?
The IUPAC name of 5,6-dimethyl-1-nonylbenzimidazole (CID 16994999) is 5,6-dimethyl-1-nonylbenzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-nonylbenzimidazole?
The canonical SMILES for 5,6-dimethyl-1-nonylbenzimidazole is CCCCCCCCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 5,6-dimethyl-1-nonylbenzimidazole?
The InChIKey is SQNNMAYNBRCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-5-6-7-8-9-10-11-20-14-19-17-12-15(2)16(3)13-18(17)20/h12-14H,4-11H2,1-3H3.
What are the key properties of 5,6-dimethyl-1-nonylbenzimidazole?
5,6-dimethyl-1-nonylbenzimidazole has a molecular weight of 272.44 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-nonylbenzimidazole is sourced from PubChem (CID 16994999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).