3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide

C22H22N4O2 — CID 46979129

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide
SMILESCc1ccc2cccc(NC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)c2n1
InChIInChI=1S/C22H22N4O2/c1-14-7-10-16-5-4-6-17(21(16)23-14)24-20(27)12-9-15-8-11-18-19(13-15)26(3)22(28)25(18)2/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)
InChIKeySQPSRMCTZIXVQI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.30
Rot. Bonds4

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide (PubChem CID 46979129) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide
PubChem CID46979129
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide
SMILESCc1ccc2cccc(NC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)c2n1
InChIInChI=1S/C22H22N4O2/c1-14-7-10-16-5-4-6-17(21(16)23-14)24-20(27)12-9-15-8-11-18-19(13-15)26(3)22(28)25(18)2/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)
InChIKeySQPSRMCTZIXVQI-UHFFFAOYSA-N
XLogP3.30
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide (CID 46979129) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide is Cc1ccc2cccc(NC(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)c2n1.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide?
The InChIKey is SQPSRMCTZIXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-7-10-16-5-4-6-17(21(16)23-14)24-20(27)12-9-15-8-11-18-19(13-15)26(3)22(28)25(18)2/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,27).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methylquinolin-8-yl)propanamide is sourced from PubChem (CID 46979129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).