5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

C16H21N3O4 — CID 146107840

IUPAC5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCC1(CO)CCN(C(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H21N3O4/c1-23-10-16(9-20)4-5-19(8-16)14(21)7-11-2-3-12-13(6-11)18-15(22)17-12/h2-3,6,20H,4-5,7-10H2,1H3,(H2,17,18,22)
InChIKeyQEGGHDDXGOPMHY-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.26
Rot. Bonds5

About 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 146107840) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID146107840
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOCC1(CO)CCN(C(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H21N3O4/c1-23-10-16(9-20)4-5-19(8-16)14(21)7-11-2-3-12-13(6-11)18-15(22)17-12/h2-3,6,20H,4-5,7-10H2,1H3,(H2,17,18,22)
InChIKeyQEGGHDDXGOPMHY-UHFFFAOYSA-N
XLogP0.26
TPSA98.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 138035514
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
N-tert-butyl-4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813939
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167895937
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 26407540
1-[2-(3,4-difluorophenyl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72894002
5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 159388986

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (CID 146107840) is 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is COCC1(CO)CCN(C(=O)Cc2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QEGGHDDXGOPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-10-16(9-20)4-5-19(8-16)14(21)7-11-2-3-12-13(6-11)18-15(22)17-12/h2-3,6,20H,4-5,7-10H2,1H3,(H2,17,18,22).
What are the key properties of 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 319.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 146107840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).