1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole

C13H12N2 — CID 15397533

IUPAC1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
SMILESC1=CC(Cn2cnc3ccccc32)C=C1
InChIInChI=1S/C13H12N2/c1-2-6-11(5-1)9-15-10-14-12-7-3-4-8-13(12)15/h1-8,10-11H,9H2
InChIKeyLILICRNHYPEDDZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.78
Rot. Bonds2

About 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole

1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole (PubChem CID 15397533) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
PubChem CID15397533
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
SMILESC1=CC(Cn2cnc3ccccc32)C=C1
InChIInChI=1S/C13H12N2/c1-2-6-11(5-1)9-15-10-14-12-7-3-4-8-13(12)15/h1-8,10-11H,9H2
InChIKeyLILICRNHYPEDDZ-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
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CID 830343
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CID 54604941
1-(6-chlorohexyl)benzimidazole
CID 62228178
bis(1-butylbenzimidazole);ethane
CID 142164287
1-(benzimidazol-1-yl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole (CID 15397533) is 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole is C1=CC(Cn2cnc3ccccc32)C=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole?
The InChIKey is LILICRNHYPEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-11(5-1)9-15-10-14-12-7-3-4-8-13(12)15/h1-8,10-11H,9H2.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole?
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole has a molecular weight of 196.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole is sourced from PubChem (CID 15397533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).