1-benzyl-2,4-dimethylbenzimidazole

C16H16N2 — CID 14933027

IUPAC1-benzyl-2,4-dimethylbenzimidazole
SMILESCc1cccc2c1nc(C)n2Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-12-7-6-10-15-16(12)17-13(2)18(15)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyMNAFTEIMLMQFOS-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds2

About 1-benzyl-2,4-dimethylbenzimidazole

1-benzyl-2,4-dimethylbenzimidazole (PubChem CID 14933027) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-benzyl-2,4-dimethylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2,4-dimethylbenzimidazole
PubChem CID14933027
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-benzyl-2,4-dimethylbenzimidazole
SMILESCc1cccc2c1nc(C)n2Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-12-7-6-10-15-16(12)17-13(2)18(15)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3
InChIKeyMNAFTEIMLMQFOS-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151866013
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1-benzyl-4,6-dimethylbenzimidazol-2-amine
CID 91671833
ethyl 2-methyl-1-[[4-(2-phenylethenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 140992483
6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 166718274
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
1-(3,7-dimethylocta-2,6-dienyl)-2,4-dimethylbenzimidazole
CID 54159147
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
6-amino-9-benzyl-8-methyl-1H-purine-2-thione
CID 90376874
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dimethylbenzimidazole?
The IUPAC name of 1-benzyl-2,4-dimethylbenzimidazole (CID 14933027) is 1-benzyl-2,4-dimethylbenzimidazole.
What is the SMILES notation for 1-benzyl-2,4-dimethylbenzimidazole?
The canonical SMILES for 1-benzyl-2,4-dimethylbenzimidazole is Cc1cccc2c1nc(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,4-dimethylbenzimidazole?
The InChIKey is MNAFTEIMLMQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-6-10-15-16(12)17-13(2)18(15)11-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-2,4-dimethylbenzimidazole?
1-benzyl-2,4-dimethylbenzimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dimethylbenzimidazole is sourced from PubChem (CID 14933027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).