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

C16H22N4 — CID 117429401

IUPAC[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCc1nccn1-c1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C16H22N4/c1-12-18-6-7-20(12)15-5-3-4-14(9-15)16-8-13(10-17)11-19(16)2/h3-7,9,13,16H,8,10-11,17H2,1-2H3
InChIKeyRDVHMFVLQDXVDK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.13
Rot. Bonds3

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

[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine (PubChem CID 117429401) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
PubChem CID117429401
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCc1nccn1-c1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C16H22N4/c1-12-18-6-7-20(12)15-5-3-4-14(9-15)16-8-13(10-17)11-19(16)2/h3-7,9,13,16H,8,10-11,17H2,1-2H3
InChIKeyRDVHMFVLQDXVDK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine (CID 117429401) is [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine is Cc1nccn1-c1cccc(C2CC(CN)CN2C)c1.
What is the InChIKey of [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine?
The InChIKey is RDVHMFVLQDXVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-18-6-7-20(12)15-5-3-4-14(9-15)16-8-13(10-17)11-19(16)2/h3-7,9,13,16H,8,10-11,17H2,1-2H3.
What are the key properties of [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine?
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117429401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).