N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine

C14H17F2N3 — CID 63925780

IUPACN-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(2)6-17-8-14-18-7-13(19-14)11-5-10(15)3-4-12(11)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)
InChIKeyDENDQWOOYWTLHE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.10
Rot. Bonds5

About N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63925780) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63925780
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(2)6-17-8-14-18-7-13(19-14)11-5-10(15)3-4-12(11)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)
InChIKeyDENDQWOOYWTLHE-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dexmedetomidine
CID 5311068
Medetomidine
CID 68602
Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
4,5-Diphenylimidazole
CID 69588
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 63925780) is N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DENDQWOOYWTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)6-17-8-14-18-7-13(19-14)11-5-10(15)3-4-12(11)16/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63925780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).