1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole

C15H19N3 — CID 117355823

IUPAC1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
SMILESCn1ccnc1Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H19N3/c1-18-10-9-17-15(18)11-12-4-6-13(7-5-12)14-3-2-8-16-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3
InChIKeyJNPXTGRUNAPGDL-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.44
Rot. Bonds3

About 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole

1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole (PubChem CID 117355823) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
PubChem CID117355823
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
SMILESCn1ccnc1Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H19N3/c1-18-10-9-17-15(18)11-12-4-6-13(7-5-12)14-3-2-8-16-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3
InChIKeyJNPXTGRUNAPGDL-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
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1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
1-[2-(1-methylimidazol-2-yl)ethyl]-3-phenyl-1,4-diazepane
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(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
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CID 117458507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole?
The IUPAC name of 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole (CID 117355823) is 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole?
The canonical SMILES for 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole is Cn1ccnc1Cc1ccc(C2CCCN2)cc1.
What is the InChIKey of 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole?
The InChIKey is JNPXTGRUNAPGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-10-9-17-15(18)11-12-4-6-13(7-5-12)14-3-2-8-16-14/h4-7,9-10,14,16H,2-3,8,11H2,1H3.
What are the key properties of 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole?
1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole has a molecular weight of 241.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole is sourced from PubChem (CID 117355823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).