N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline

C13H15F2N3 — CID 43112046

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1nccn1C(F)F
InChIInChI=1S/C13H15F2N3/c1-2-10-5-3-4-6-11(10)17-9-12-16-7-8-18(12)13(14)15/h3-8,13,17H,2,9H2,1H3
InChIKeySBZVUAQWFUYVRN-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline (PubChem CID 43112046) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
PubChem CID43112046
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1nccn1C(F)F
InChIInChI=1S/C13H15F2N3/c1-2-10-5-3-4-6-11(10)17-9-12-16-7-8-18(12)13(14)15/h3-8,13,17H,2,9H2,1H3
InChIKeySBZVUAQWFUYVRN-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,5-difluoro-4-methylaniline
CID 103585765
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
CID 63837939
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360209
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-iodoaniline
CID 113253408
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitroaniline
CID 133276568
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline (CID 43112046) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline is CCc1ccccc1NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline?
The InChIKey is SBZVUAQWFUYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-2-10-5-3-4-6-11(10)17-9-12-16-7-8-18(12)13(14)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline has a molecular weight of 251.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline is sourced from PubChem (CID 43112046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).