1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole

C15H14N2 — CID 143688358

IUPAC1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C12C=CC=CC1C2
InChIInChI=1S/C15H14N2/c1-11-16-13-7-2-3-8-14(13)17(11)15-9-5-4-6-12(15)10-15/h2-9,12H,10H2,1H3
InChIKeyPZZGOGCLYCSDQZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.19
Rot. Bonds1

About 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole

1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole (PubChem CID 143688358) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole
PubChem CID143688358
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C12C=CC=CC1C2
InChIInChI=1S/C15H14N2/c1-11-16-13-7-2-3-8-14(13)17(11)15-9-5-4-6-12(15)10-15/h2-9,12H,10H2,1H3
InChIKeyPZZGOGCLYCSDQZ-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.19
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 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole?
The IUPAC name of 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole (CID 143688358) is 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1C12C=CC=CC1C2.
What is the InChIKey of 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole?
The InChIKey is PZZGOGCLYCSDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-16-13-7-2-3-8-14(13)17(11)15-9-5-4-6-12(15)10-15/h2-9,12H,10H2,1H3.
What are the key properties of 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole?
1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole has a molecular weight of 222.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-methylbenzimidazole is sourced from PubChem (CID 143688358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).