2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole

C16H20N2 — CID 102109258

IUPAC2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
SMILESCn1c(/C2=C/CCCCCC2)nc2ccccc21
InChIInChI=1S/C16H20N2/c1-18-15-12-8-7-11-14(15)17-16(18)13-9-5-3-2-4-6-10-13/h7-9,11-12H,2-6,10H2,1H3/b13-9+
InChIKeyVIHQOTWZDIDSDW-UKTHLTGXSA-N
MW240.35 g/mol
LogP4.31
Rot. Bonds1

About 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole

2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole (PubChem CID 102109258) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
PubChem CID102109258
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
SMILESCn1c(/C2=C/CCCCCC2)nc2ccccc21
InChIInChI=1S/C16H20N2/c1-18-15-12-8-7-11-14(15)17-16(18)13-9-5-3-2-4-6-10-13/h7-9,11-12H,2-6,10H2,1H3/b13-9+
InChIKeyVIHQOTWZDIDSDW-UKTHLTGXSA-N
XLogP4.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole (CID 102109258) is 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole is Cn1c(/C2=C/CCCCCC2)nc2ccccc21.
What is the InChIKey of 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole?
The InChIKey is VIHQOTWZDIDSDW-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H20N2/c1-18-15-12-8-7-11-14(15)17-16(18)13-9-5-3-2-4-6-10-13/h7-9,11-12H,2-6,10H2,1H3/b13-9+.
What are the key properties of 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole?
2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole has a molecular weight of 240.35 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole is sourced from PubChem (CID 102109258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).