1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

C22H25N3O3 — CID 92901885

IUPAC1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1OCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21
InChIInChI=1S/C22H25N3O3/c1-16(26)24-13-7-10-19(24)22-23-17-8-3-4-9-18(17)25(22)14-15-28-21-12-6-5-11-20(21)27-2/h3-6,8-9,11-12,19H,7,10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyXNIFSIDFEBVHDV-LJQANCHMSA-N
MW379.46 g/mol
LogP3.81
Rot. Bonds6

About 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 92901885) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID92901885
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1OCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21
InChIInChI=1S/C22H25N3O3/c1-16(26)24-13-7-10-19(24)22-23-17-8-3-4-9-18(17)25(22)14-15-28-21-12-6-5-11-20(21)27-2/h3-6,8-9,11-12,19H,7,10,13-15H2,1-2H3/t19-/m1/s1
InChIKeyXNIFSIDFEBVHDV-LJQANCHMSA-N
XLogP3.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 50745323
1-[2-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264735
1-[(2S)-2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 39115804
1-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264733
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
1-[(2S)-2-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92901877
1-[(2S)-2-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 42108786
1-[(2S)-2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735916
1-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264748
1-[(2S)-2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735900
1-[(2S)-2-[1-(cyclohexylmethyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97259770

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (CID 92901885) is 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is COc1ccccc1OCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21.
What is the InChIKey of 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is XNIFSIDFEBVHDV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(26)24-13-7-10-19(24)22-23-17-8-3-4-9-18(17)25(22)14-15-28-21-12-6-5-11-20(21)27-2/h3-6,8-9,11-12,19H,7,10,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92901885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).