1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole

C15H16N2 — CID 146594040

IUPAC1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole
SMILESCc1cccc2c1ncn2CC1=CC=CCC1
InChIInChI=1S/C15H16N2/c1-12-6-5-9-14-15(12)16-11-17(14)10-13-7-3-2-4-8-13/h2-3,5-7,9,11H,4,8,10H2,1H3
InChIKeyHCKMVOUPRSKJIT-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.62
Rot. Bonds2

About 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole

1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole (PubChem CID 146594040) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole.

Molecular Properties

Compound Name1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole
PubChem CID146594040
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole
SMILESCc1cccc2c1ncn2CC1=CC=CCC1
InChIInChI=1S/C15H16N2/c1-12-6-5-9-14-15(12)16-11-17(14)10-13-7-3-2-4-8-13/h2-3,5-7,9,11H,4,8,10H2,1H3
InChIKeyHCKMVOUPRSKJIT-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole?
The IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole (CID 146594040) is 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole.
What is the SMILES notation for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole?
The canonical SMILES for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole is Cc1cccc2c1ncn2CC1=CC=CCC1.
What is the InChIKey of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole?
The InChIKey is HCKMVOUPRSKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-6-5-9-14-15(12)16-11-17(14)10-13-7-3-2-4-8-13/h2-3,5-7,9,11H,4,8,10H2,1H3.
What are the key properties of 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole?
1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole has a molecular weight of 224.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,3-dien-1-ylmethyl)-4-methylbenzimidazole is sourced from PubChem (CID 146594040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).