2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide

C16H24N4 — CID 106712254

IUPAC2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCn1c(C)nc2ccccc21
InChIInChI=1S/C16H24N4/c1-12-19-13-8-4-5-9-14(13)20(12)11-7-6-10-16(2,3)15(17)18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H3,17,18)
InChIKeyGGXUTMBXTOFSNF-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.48
Rot. Bonds6

About 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide

2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide (PubChem CID 106712254) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide
PubChem CID106712254
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCn1c(C)nc2ccccc21
InChIInChI=1S/C16H24N4/c1-12-19-13-8-4-5-9-14(13)20(12)11-7-6-10-16(2,3)15(17)18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H3,17,18)
InChIKeyGGXUTMBXTOFSNF-UHFFFAOYSA-N
XLogP3.48
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252513
2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
CID 65260313

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide (CID 106712254) is 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCn1c(C)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide?
The InChIKey is GGXUTMBXTOFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-19-13-8-4-5-9-14(13)20(12)11-7-6-10-16(2,3)15(17)18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide?
2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide has a molecular weight of 272.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide is sourced from PubChem (CID 106712254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).