N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H21F2N3 — CID 105409596

IUPACN-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-11-19-8-15(9-20-16(2,3)4)21(11)10-12-5-13(17)7-14(18)6-12/h5-8,20H,9-10H2,1-4H3
InChIKeyNMMAUZLTDKMATQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.41
Rot. Bonds4

About N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 105409596) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID105409596
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-11-19-8-15(9-20-16(2,3)4)21(11)10-12-5-13(17)7-14(18)6-12/h5-8,20H,9-10H2,1-4H3
InChIKeyNMMAUZLTDKMATQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 105409596) is N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ncc(CNC(C)(C)C)n1Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NMMAUZLTDKMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-11-19-8-15(9-20-16(2,3)4)21(11)10-12-5-13(17)7-14(18)6-12/h5-8,20H,9-10H2,1-4H3.
What are the key properties of N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105409596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).