1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one

C18H26N4O2 — CID 96513038

IUPAC1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-5-21-14-8-6-7-9-15(14)22(18(21)24)12-17(23)20-10-13(2)16(11-20)19(3)4/h6-9,13,16H,5,10-12H2,1-4H3/t13-,16-/m1/s1
InChIKeyFOVYDPJZMUJNIZ-CZUORRHYSA-N
MW330.43 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one

1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one (PubChem CID 96513038) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
PubChem CID96513038
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-5-21-14-8-6-7-9-15(14)22(18(21)24)12-17(23)20-10-13(2)16(11-20)19(3)4/h6-9,13,16H,5,10-12H2,1-4H3/t13-,16-/m1/s1
InChIKeyFOVYDPJZMUJNIZ-CZUORRHYSA-N
XLogP1.23
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one with MolForge

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 97024362
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 97024370
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one (CID 96513038) is 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(CC(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c2ccccc21.
What is the InChIKey of 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
The InChIKey is FOVYDPJZMUJNIZ-CZUORRHYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-21-14-8-6-7-9-15(14)22(18(21)24)12-17(23)20-10-13(2)16(11-20)19(3)4/h6-9,13,16H,5,10-12H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one?
1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 96513038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).