3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one

C18H16N4O — CID 135674125

IUPAC3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one
SMILESCN(C)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H16N4O/c1-22(2)16-11-7-3-4-8-12(11)21-18(23)15(16)17-19-13-9-5-6-10-14(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyUYTJXDFQTNTAET-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.14
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one (PubChem CID 135674125) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one
PubChem CID135674125
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one
SMILESCN(C)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H16N4O/c1-22(2)16-11-7-3-4-8-12(11)21-18(23)15(16)17-19-13-9-5-6-10-14(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyUYTJXDFQTNTAET-UHFFFAOYSA-N
XLogP3.14
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one (CID 135674125) is 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one is CN(C)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one?
The InChIKey is UYTJXDFQTNTAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22(2)16-11-7-3-4-8-12(11)21-18(23)15(16)17-19-13-9-5-6-10-14(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one has a molecular weight of 304.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-(dimethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 135674125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).