2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine

C13H15ClFN3 — CID 107531998

IUPAC2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-13(2,16-3)12-7-17-8-18(12)11-6-9(15)4-5-10(11)14/h4-8,16H,1-3H3
InChIKeyDIILXNHGKOILCK-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.12
Rot. Bonds3

About 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 107531998) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID107531998
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-13(2,16-3)12-7-17-8-18(12)11-6-9(15)4-5-10(11)14/h4-8,16H,1-3H3
InChIKeyDIILXNHGKOILCK-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708321
1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
CID 142004083
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 107470112

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine (CID 107531998) is 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1-c1cc(F)ccc1Cl.
What is the InChIKey of 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is DIILXNHGKOILCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-13(2,16-3)12-7-17-8-18(12)11-6-9(15)4-5-10(11)14/h4-8,16H,1-3H3.
What are the key properties of 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 267.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 107531998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).