1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole

C17H23N3O — CID 124733917

IUPAC1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
SMILESCOc1cccc([C@H]2C[C@@H](C)CN2CCn2ccnc2)c1
InChIInChI=1S/C17H23N3O/c1-14-10-17(15-4-3-5-16(11-15)21-2)20(12-14)9-8-19-7-6-18-13-19/h3-7,11,13-14,17H,8-10,12H2,1-2H3/t14-,17-/m1/s1
InChIKeyLUBNCXLQDUSJGG-RHSMWYFYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole

1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole (PubChem CID 124733917) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
PubChem CID124733917
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
SMILESCOc1cccc([C@H]2C[C@@H](C)CN2CCn2ccnc2)c1
InChIInChI=1S/C17H23N3O/c1-14-10-17(15-4-3-5-16(11-15)21-2)20(12-14)9-8-19-7-6-18-13-19/h3-7,11,13-14,17H,8-10,12H2,1-2H3/t14-,17-/m1/s1
InChIKeyLUBNCXLQDUSJGG-RHSMWYFYSA-N
XLogP2.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole (CID 124733917) is 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole is COc1cccc([C@H]2C[C@@H](C)CN2CCn2ccnc2)c1.
What is the InChIKey of 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole?
The InChIKey is LUBNCXLQDUSJGG-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-10-17(15-4-3-5-16(11-15)21-2)20(12-14)9-8-19-7-6-18-13-19/h3-7,11,13-14,17H,8-10,12H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole?
1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole has a molecular weight of 285.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole is sourced from PubChem (CID 124733917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).