2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole

C15H19N3 — CID 117355719

IUPAC2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
SMILESCc1nccn1-c1cccc(CC2CCCN2)c1
InChIInChI=1S/C15H19N3/c1-12-16-8-9-18(12)15-6-2-4-13(11-15)10-14-5-3-7-17-14/h2,4,6,8-9,11,14,17H,3,5,7,10H2,1H3
InChIKeyLSGBAQGEJHWIAV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole

2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole (PubChem CID 117355719) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
PubChem CID117355719
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
SMILESCc1nccn1-c1cccc(CC2CCCN2)c1
InChIInChI=1S/C15H19N3/c1-12-16-8-9-18(12)15-6-2-4-13(11-15)10-14-5-3-7-17-14/h2,4,6,8-9,11,14,17H,3,5,7,10H2,1H3
InChIKeyLSGBAQGEJHWIAV-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
N-[[3-(2-methylimidazol-1-yl)phenyl]methyl]formamide
CID 118576391
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole?
The IUPAC name of 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole (CID 117355719) is 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole.
What is the SMILES notation for 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole?
The canonical SMILES for 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole is Cc1nccn1-c1cccc(CC2CCCN2)c1.
What is the InChIKey of 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole?
The InChIKey is LSGBAQGEJHWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-16-8-9-18(12)15-6-2-4-13(11-15)10-14-5-3-7-17-14/h2,4,6,8-9,11,14,17H,3,5,7,10H2,1H3.
What are the key properties of 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole?
2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole has a molecular weight of 241.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole is sourced from PubChem (CID 117355719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).