1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole

C18H21FN2 — CID 59757556

IUPAC1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole
SMILESCc1cc(C)c(CN2c3ccccc3N(C)C2C)c(F)c1
InChIInChI=1S/C18H21FN2/c1-12-9-13(2)15(16(19)10-12)11-21-14(3)20(4)17-7-5-6-8-18(17)21/h5-10,14H,11H2,1-4H3
InChIKeyVVFIJVBVPJWONR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.24
Rot. Bonds2

About 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole

1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole (PubChem CID 59757556) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole
PubChem CID59757556
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole
SMILESCc1cc(C)c(CN2c3ccccc3N(C)C2C)c(F)c1
InChIInChI=1S/C18H21FN2/c1-12-9-13(2)15(16(19)10-12)11-21-14(3)20(4)17-7-5-6-8-18(17)21/h5-10,14H,11H2,1-4H3
InChIKeyVVFIJVBVPJWONR-UHFFFAOYSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
5,6-Dimethyl-2-phenylisoindoline
CID 2823735
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049
1-(2-fluorobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 807430
1,2,3-Trimethyl-2-naphthalen-1-yl-2,3-dihydro-1H-benzoimidazole
CID 2256105
10-(4-tert-Butyl-benzyl)-2,3,4,10-tetrahydro-benzo[4,5]imidazo[1,2-a]pyrimidine
CID 2851859
9-(2-methylbenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 6602704
1-[(4-Ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 90670821

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole?
The IUPAC name of 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole (CID 59757556) is 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole?
The canonical SMILES for 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole is Cc1cc(C)c(CN2c3ccccc3N(C)C2C)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole?
The InChIKey is VVFIJVBVPJWONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-9-13(2)15(16(19)10-12)11-21-14(3)20(4)17-7-5-6-8-18(17)21/h5-10,14H,11H2,1-4H3.
What are the key properties of 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole?
1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole has a molecular weight of 284.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4,6-dimethylphenyl)methyl]-2,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 59757556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).