1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole

C15H16N2 — CID 163950889

IUPAC1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)ncn2CC1C=CC=CC1
InChIInChI=1S/C15H16N2/c1-12-7-8-15-14(9-12)16-11-17(15)10-13-5-3-2-4-6-13/h2-5,7-9,11,13H,6,10H2,1H3
InChIKeyRZFDCEWSTLXUFF-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.48
Rot. Bonds2

About 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole

1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole (PubChem CID 163950889) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole
PubChem CID163950889
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)ncn2CC1C=CC=CC1
InChIInChI=1S/C15H16N2/c1-12-7-8-15-14(9-12)16-11-17(15)10-13-5-3-2-4-6-13/h2-5,7-9,11,13H,6,10H2,1H3
InChIKeyRZFDCEWSTLXUFF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-methylbenzimidazole
CID 12620837
3-(5-methylbenzimidazol-1-yl)propanenitrile
CID 45078513
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
1-bromo-5-methylbenzimidazole
CID 119086156
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
1,5-dimethylbenzimidazole;ethene
CID 145318091
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
6-methyl-1-propylbenzimidazole
CID 122608641
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
5-methylbenzimidazole-1-carbonitrile
CID 134294655
1-ethynyl-5-methylbenzimidazole
CID 119085875

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole (CID 163950889) is 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)ncn2CC1C=CC=CC1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole?
The InChIKey is RZFDCEWSTLXUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-7-8-15-14(9-12)16-11-17(15)10-13-5-3-2-4-6-13/h2-5,7-9,11,13H,6,10H2,1H3.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole?
1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole has a molecular weight of 224.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylmethyl)-5-methylbenzimidazole is sourced from PubChem (CID 163950889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).