[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine

C16H22N4 — CID 117429396

IUPAC[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C16H22N4/c1-19-8-7-18-16(19)14-5-3-13(4-6-14)15-9-12(10-17)11-20(15)2/h3-8,12,15H,9-11,17H2,1-2H3
InChIKeyYHWAVSFXEOWLIM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds3

About [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine

[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine (PubChem CID 117429396) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
PubChem CID117429396
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C16H22N4/c1-19-8-7-18-16(19)14-5-3-13(4-6-14)15-9-12(10-17)11-20(15)2/h3-8,12,15H,9-11,17H2,1-2H3
InChIKeyYHWAVSFXEOWLIM-UHFFFAOYSA-N
XLogP2.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117399888
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
[1-methyl-5-[4-(oxetan-3-ylsulfanyl)phenyl]pyrrolidin-3-yl]methanamine
CID 117446773
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438516
4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391867

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine (CID 117429396) is [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(-c2nccn2C)cc1.
What is the InChIKey of [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine?
The InChIKey is YHWAVSFXEOWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-8-7-18-16(19)14-5-3-13(4-6-14)15-9-12(10-17)11-20(15)2/h3-8,12,15H,9-11,17H2,1-2H3.
What are the key properties of [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine?
[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117429396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).