N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C14H17F2N3 — CID 107446928

IUPACN-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3/c1-14(2,3)18-8-11-7-17-9-19(11)13-5-4-10(15)6-12(13)16/h4-7,9,18H,8H2,1-3H3
InChIKeyHWVRDYBAWWAOCR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.04
Rot. Bonds3

About N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446928) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446928
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccc(F)cc1F
InChIInChI=1S/C14H17F2N3/c1-14(2,3)18-8-11-7-17-9-19(11)13-5-4-10(15)6-12(13)16/h4-7,9,18H,8H2,1-3H3
InChIKeyHWVRDYBAWWAOCR-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446928) is N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1-c1ccc(F)cc1F.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HWVRDYBAWWAOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-14(2,3)18-8-11-7-17-9-19(11)13-5-4-10(15)6-12(13)16/h4-7,9,18H,8H2,1-3H3.
What are the key properties of N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).