3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one

C18H15N3O2 — CID 155962167

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C18H15N3O2/c1-20-15-8-7-11(10-16(15)21(2)18(20)23)13-9-12-5-3-4-6-14(12)19-17(13)22/h3-10H,1-2H3,(H,19,22)
InChIKeyCKJDHIUYCUXTMT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.39
Rot. Bonds1

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one (PubChem CID 155962167) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
PubChem CID155962167
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C18H15N3O2/c1-20-15-8-7-11(10-16(15)21(2)18(20)23)13-9-12-5-3-4-6-14(12)19-17(13)22/h3-10H,1-2H3,(H,19,22)
InChIKeyCKJDHIUYCUXTMT-UHFFFAOYSA-N
XLogP2.39
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one (CID 155962167) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one is Cn1c(=O)n(C)c2cc(-c3cc4ccccc4[nH]c3=O)ccc21.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one?
The InChIKey is CKJDHIUYCUXTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-20-15-8-7-11(10-16(15)21(2)18(20)23)13-9-12-5-3-4-6-14(12)19-17(13)22/h3-10H,1-2H3,(H,19,22).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one has a molecular weight of 305.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 155962167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).