2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone

C21H23N3O2 — CID 92625830

IUPAC2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCOCc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-15-20-22-18-9-5-6-10-19(18)24(20)14-21(25)23-12-11-17(13-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m0/s1
InChIKeyOYUXVIMLMUJLIN-KRWDZBQOSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone

2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone (PubChem CID 92625830) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
PubChem CID92625830
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCOCc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-15-20-22-18-9-5-6-10-19(18)24(20)14-21(25)23-12-11-17(13-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m0/s1
InChIKeyOYUXVIMLMUJLIN-KRWDZBQOSA-N
XLogP3.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 25356200
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 110259340
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 129458897
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 92625835
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone (CID 92625830) is 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone is COCc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The InChIKey is OYUXVIMLMUJLIN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-15-20-22-18-9-5-6-10-19(18)24(20)14-21(25)23-12-11-17(13-23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92625830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).