1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine

C18H25FN4 — CID 50951715

IUPAC1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)Cn1cncc1CNC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN4/c1-14(2)11-23-13-20-9-18(23)10-21-16-7-8-22(12-16)17-5-3-15(19)4-6-17/h3-6,9,13-14,16,21H,7-8,10-12H2,1-2H3
InChIKeyCQXMLINVPUQBRN-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine

1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 50951715) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID50951715
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCC(C)Cn1cncc1CNC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN4/c1-14(2)11-23-13-20-9-18(23)10-21-16-7-8-22(12-16)17-5-3-15(19)4-6-17/h3-6,9,13-14,16,21H,7-8,10-12H2,1-2H3
InChIKeyCQXMLINVPUQBRN-UHFFFAOYSA-N
XLogP3.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine (CID 50951715) is 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine is CC(C)Cn1cncc1CNC1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is CQXMLINVPUQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-14(2)11-23-13-20-9-18(23)10-21-16-7-8-22(12-16)17-5-3-15(19)4-6-17/h3-6,9,13-14,16,21H,7-8,10-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine?
1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 316.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 50951715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).