5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C16H21N3O2 — CID 61364707

IUPAC5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCOc1ccc(OC)c(-c2cnc(CC3CCCN3)[nH]2)c1
InChIInChI=1S/C16H21N3O2/c1-20-12-5-6-15(21-2)13(9-12)14-10-18-16(19-14)8-11-4-3-7-17-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZMNJDQABJQNQML-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 61364707) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID61364707
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCOc1ccc(OC)c(-c2cnc(CC3CCCN3)[nH]2)c1
InChIInChI=1S/C16H21N3O2/c1-20-12-5-6-15(21-2)13(9-12)14-10-18-16(19-14)8-11-4-3-7-17-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZMNJDQABJQNQML-UHFFFAOYSA-N
XLogP2.39
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
5-(4-iodophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 114083168
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 61364707) is 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is COc1ccc(OC)c(-c2cnc(CC3CCCN3)[nH]2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is ZMNJDQABJQNQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-12-5-6-15(21-2)13(9-12)14-10-18-16(19-14)8-11-4-3-7-17-11/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 287.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 61364707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).