1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C16H21N3O2 — CID 114716504

IUPAC1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCOc1cc(OC)cc(-n2cncc2C2(C)CCNC2)c1
InChIInChI=1S/C16H21N3O2/c1-16(4-5-17-10-16)15-9-18-11-19(15)12-6-13(20-2)8-14(7-12)21-3/h6-9,11,17H,4-5,10H2,1-3H3
InChIKeyPZZXMHZLITUCBU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.14
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114716504) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114716504
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCOc1cc(OC)cc(-n2cncc2C2(C)CCNC2)c1
InChIInChI=1S/C16H21N3O2/c1-16(4-5-17-10-16)15-9-18-11-19(15)12-6-13(20-2)8-14(7-12)21-3/h6-9,11,17H,4-5,10H2,1-3H3
InChIKeyPZZXMHZLITUCBU-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114716504) is 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is COc1cc(OC)cc(-n2cncc2C2(C)CCNC2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is PZZXMHZLITUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(4-5-17-10-16)15-9-18-11-19(15)12-6-13(20-2)8-14(7-12)21-3/h6-9,11,17H,4-5,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 287.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).