3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one

C19H18ClN3O2 — CID 166828679

IUPAC3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=C1CCCN1Cc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c20-15-10-13(7-8-14(15)12-22-9-3-6-18(22)24)11-23-17-5-2-1-4-16(17)21-19(23)25/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,21,25)
InChIKeyLTYOVPZCMPZYBT-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.15
Rot. Bonds4

About 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one

3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 166828679) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID166828679
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=C1CCCN1Cc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c20-15-10-13(7-8-14(15)12-22-9-3-6-18(22)24)11-23-17-5-2-1-4-16(17)21-19(23)25/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,21,25)
InChIKeyLTYOVPZCMPZYBT-UHFFFAOYSA-N
XLogP3.15
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 761927
1-(4-chlorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 4681038
1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
CID 10832076
1-[1-(2-Chloro-4-methyl-benzyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one
CID 44342270
1-{1-[(2-chlorophenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 53521863
3-[1-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 71716774
1-(1-(2-chlorobenzyl)piperidin-4-yl)-5-fluoro-1H-benzo[d]imidazol-2(3H)-one
CID 145965538
4-chloro-N-[4-[(2-cyclopentylacetyl)amino]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510379
Pyrrolidine-1,2-dicarboxylic acid 2-(2-chloro-benzylamide) 1-phenylamide
CID 3221287
1-(2-chlorobenzyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 3240463
4-[2,3,3A,4-Tetrahydropyrrolo[1,2-A]quinoxalin-5(1H)-YL]-N-(3-chlorobenzyl)-4-oxobutanamide
CID 16026321
4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-[(2-chlorophenyl)methyl]-4-oxobutanamide
CID 16026325

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one (CID 166828679) is 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one is O=C1CCCN1Cc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1Cl.
What is the InChIKey of 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is LTYOVPZCMPZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-10-13(7-8-14(15)12-22-9-3-6-18(22)24)11-23-17-5-2-1-4-16(17)21-19(23)25/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,21,25).
What are the key properties of 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one?
3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 355.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 166828679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).