1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole

C17H14F2N2 — CID 123736359

IUPAC1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
SMILESCc1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1
InChIInChI=1S/C17H14F2N2/c1-12-20-17(15-9-14(18)7-8-16(15)19)11-21(12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyLSUZZYIXGXEKST-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.19
Rot. Bonds3

About 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole

1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole (PubChem CID 123736359) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
PubChem CID123736359
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
SMILESCc1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1
InChIInChI=1S/C17H14F2N2/c1-12-20-17(15-9-14(18)7-8-16(15)19)11-21(12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyLSUZZYIXGXEKST-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylbut-3-enyl]carbamic acid
CID 90458663
3-[[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]propylcarbamic acid
CID 175108171
1-benzyl-4-(2,5-difluorophenyl)pyrrole-2-carboxylic acid
CID 130469351
[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium
CID 163803294
[4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]-1-methoxybutan-2-yl]carbamic acid
CID 68815446
methyl N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 76616089
1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-methoxyacetamide
CID 71217687
N-[(3S)-3-amino-4-fluorobutyl]-N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide
CID 42641862
benzyl-[(2S)-3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-hydroxypropyl]carbamic acid
CID 68647474
1-benzyl-4-(2,5-difluorophenyl)-2-(3,3-dimethylbutan-2-yl)imidazole;butan-1-amine;fluoromethane;1-hydroxybutan-2-one
CID 143820382

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole?
The IUPAC name of 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole (CID 123736359) is 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole.
What is the SMILES notation for 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole?
The canonical SMILES for 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole is Cc1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole?
The InChIKey is LSUZZYIXGXEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-12-20-17(15-9-14(18)7-8-16(15)19)11-21(12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3.
What are the key properties of 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole?
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole has a molecular weight of 284.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole is sourced from PubChem (CID 123736359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).