1-hept-6-enyl-5,6-dimethylbenzimidazole

C16H22N2 — CID 107010217

IUPAC1-hept-6-enyl-5,6-dimethylbenzimidazole
SMILESC=CCCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H22N2/c1-4-5-6-7-8-9-18-12-17-15-10-13(2)14(3)11-16(15)18/h4,10-12H,1,5-9H2,2-3H3
InChIKeyKPFCKLMOGLZLAA-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.40
Rot. Bonds6

About 1-hept-6-enyl-5,6-dimethylbenzimidazole

1-hept-6-enyl-5,6-dimethylbenzimidazole (PubChem CID 107010217) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-hept-6-enyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-hept-6-enyl-5,6-dimethylbenzimidazole
PubChem CID107010217
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-hept-6-enyl-5,6-dimethylbenzimidazole
SMILESC=CCCCCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C16H22N2/c1-4-5-6-7-8-9-18-12-17-15-10-13(2)14(3)11-16(15)18/h4,10-12H,1,5-9H2,2-3H3
InChIKeyKPFCKLMOGLZLAA-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-hept-6-enyl-5,6-dimethylbenzimidazole (CID 107010217) is 1-hept-6-enyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-hept-6-enyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-hept-6-enyl-5,6-dimethylbenzimidazole is C=CCCCCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-hept-6-enyl-5,6-dimethylbenzimidazole?
The InChIKey is KPFCKLMOGLZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-5-6-7-8-9-18-12-17-15-10-13(2)14(3)11-16(15)18/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 1-hept-6-enyl-5,6-dimethylbenzimidazole?
1-hept-6-enyl-5,6-dimethylbenzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 107010217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).