5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one

C17H15ClN4O2 — CID 97011173

IUPAC5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=C1[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O2/c18-10-2-1-3-12(8-10)22-7-6-14(16(22)23)19-11-4-5-13-15(9-11)21-17(24)20-13/h1-5,8-9,14,19H,6-7H2,(H2,20,21,24)/t14-/m0/s1
InChIKeyNDUMVUACLPXGFK-AWEZNQCLSA-N
MW342.79 g/mol
LogP2.73
Rot. Bonds3

About 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 97011173) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID97011173
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=C1[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O2/c18-10-2-1-3-12(8-10)22-7-6-14(16(22)23)19-11-4-5-13-15(9-11)21-17(24)20-13/h1-5,8-9,14,19H,6-7H2,(H2,20,21,24)/t14-/m0/s1
InChIKeyNDUMVUACLPXGFK-AWEZNQCLSA-N
XLogP2.73
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
CID 95774430
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
7-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126781084
(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 96529412
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133338471
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133338513
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-5-nitrobenzonitrile
CID 133338522

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 97011173) is 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one is O=C1[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NDUMVUACLPXGFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-10-2-1-3-12(8-10)22-7-6-14(16(22)23)19-11-4-5-13-15(9-11)21-17(24)20-13/h1-5,8-9,14,19H,6-7H2,(H2,20,21,24)/t14-/m0/s1.
What are the key properties of 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 342.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 97011173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).