1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C16H21N3O3 — CID 110023664

IUPAC1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCC(O)C1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)C1
InChIInChI=1S/C16H21N3O3/c1-11(20)12-7-8-18(9-12)15(21)10-19-14-6-4-3-5-13(14)17(2)16(19)22/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyWZHHJWLIWRHONA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.57
Rot. Bonds3

About 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 110023664) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
PubChem CID110023664
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCC(O)C1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)C1
InChIInChI=1S/C16H21N3O3/c1-11(20)12-7-8-18(9-12)15(21)10-19-14-6-4-3-5-13(14)17(2)16(19)22/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyWZHHJWLIWRHONA-UHFFFAOYSA-N
XLogP0.57
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 75395920
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 112627151
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
1-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 51320756
N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 92843676
4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24688341
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
1-[1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-3-yl]triazole-4-carboxylic acid
CID 136549538
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 110023664) is 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is CC(O)C1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)C1.
What is the InChIKey of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The InChIKey is WZHHJWLIWRHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)12-7-8-18(9-12)15(21)10-19-14-6-4-3-5-13(14)17(2)16(19)22/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 303.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 110023664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).