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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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).