5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole

C17H24Cl2N2 — CID 166724783

IUPAC5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole
SMILESCCCCCCCC(C)(C)n1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C17H24Cl2N2/c1-4-5-6-7-8-9-17(2,3)21-12-20-15-10-13(18)14(19)11-16(15)21/h10-12H,4-9H2,1-3H3
InChIKeyBJUBJLDOMYILLB-UHFFFAOYSA-N
MW327.30 g/mol
LogP6.44
Rot. Bonds7

About 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole

5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole (PubChem CID 166724783) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole
PubChem CID166724783
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole
SMILESCCCCCCCC(C)(C)n1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C17H24Cl2N2/c1-4-5-6-7-8-9-17(2,3)21-12-20-15-10-13(18)14(19)11-16(15)21/h10-12H,4-9H2,1-3H3
InChIKeyBJUBJLDOMYILLB-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.30
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
4-(2-methyloctan-2-yl)-1,2,4-triazole
CID 146620696
5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
CID 67605754
6,7-dichloro-2-hexylquinoxaline
CID 156775502
1-(2-methylundecan-2-yl)imidazole
CID 151900805
4-chloro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377588
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
9-bromo-9-methylhenicosane
CID 155906452
4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
CID 146378503
2-fluoro-1-(5-methyldodecan-5-yl)imidazole
CID 146378366
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole?
The IUPAC name of 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole (CID 166724783) is 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole?
The canonical SMILES for 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole is CCCCCCCC(C)(C)n1cnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole?
The InChIKey is BJUBJLDOMYILLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-4-5-6-7-8-9-17(2,3)21-12-20-15-10-13(18)14(19)11-16(15)21/h10-12H,4-9H2,1-3H3.
What are the key properties of 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole?
5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole has a molecular weight of 327.30 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-(2-methylnonan-2-yl)benzimidazole is sourced from PubChem (CID 166724783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).