1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine

C15H18F2N4 — CID 119125088

IUPAC1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1cncc1CNC1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N4/c1-20-10-18-7-13(20)8-19-12-4-5-21(9-12)15-3-2-11(16)6-14(15)17/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3
InChIKeyODYJBIDIARQFAA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.07
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine

1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 119125088) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID119125088
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1cncc1CNC1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N4/c1-20-10-18-7-13(20)8-19-12-4-5-21(9-12)15-3-2-11(16)6-14(15)17/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3
InChIKeyODYJBIDIARQFAA-UHFFFAOYSA-N
XLogP2.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine (CID 119125088) is 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine is Cn1cncc1CNC1CCN(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ODYJBIDIARQFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-20-10-18-7-13(20)8-19-12-4-5-21(9-12)15-3-2-11(16)6-14(15)17/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine?
1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 292.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 119125088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).