2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

C17H21N3O2 — CID 84744024

IUPAC2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1c(C(C(=O)O)N2CCCC2)nc(-c2ccccc2)n1C
InChIInChI=1S/C17H21N3O2/c1-12-14(15(17(21)22)20-10-6-7-11-20)18-16(19(12)2)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKOXNSFOYEJUGCA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.62
Rot. Bonds4

About 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 84744024) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID84744024
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1c(C(C(=O)O)N2CCCC2)nc(-c2ccccc2)n1C
InChIInChI=1S/C17H21N3O2/c1-12-14(15(17(21)22)20-10-6-7-11-20)18-16(19(12)2)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,22)
InChIKeyKOXNSFOYEJUGCA-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
CID 84741178
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743596
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
CID 84744481
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethanamine
CID 84745611
2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745657
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84744768
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
CID 84743858

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (CID 84744024) is 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is Cc1c(C(C(=O)O)N2CCCC2)nc(-c2ccccc2)n1C.
What is the InChIKey of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is KOXNSFOYEJUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-14(15(17(21)22)20-10-6-7-11-20)18-16(19(12)2)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 84744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).