1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one

C16H21N3O — CID 117431510

IUPAC1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(CC2CCCN2)c1
InChIInChI=1S/C16H21N3O/c1-12-11-18(2)16(20)19(12)15-7-3-5-13(10-15)9-14-6-4-8-17-14/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3
InChIKeyCDSNPHOQAAFHKL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.78
Rot. Bonds3

About 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one

1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one (PubChem CID 117431510) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
PubChem CID117431510
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1cccc(CC2CCCN2)c1
InChIInChI=1S/C16H21N3O/c1-12-11-18(2)16(20)19(12)15-7-3-5-13(10-15)9-14-6-4-8-17-14/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3
InChIKeyCDSNPHOQAAFHKL-UHFFFAOYSA-N
XLogP1.78
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-3-(3-piperidin-3-ylphenyl)imidazol-2-one
CID 117431504
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117365583
2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
CID 117355719
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3-fluorophenyl)methyl]azepane
CID 62544707

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one?
The IUPAC name of 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one (CID 117431510) is 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one is Cc1cn(C)c(=O)n1-c1cccc(CC2CCCN2)c1.
What is the InChIKey of 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one?
The InChIKey is CDSNPHOQAAFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-11-18(2)16(20)19(12)15-7-3-5-13(10-15)9-14-6-4-8-17-14/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one?
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 117431510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).