2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide

C19H20N4O2 — CID 74671662

IUPAC2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide
SMILESCc1ccccc1C(C)NC(C)C(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C19H20N4O2/c1-11-6-4-5-7-15(11)12(2)20-13(3)18(24)21-14-8-9-16-17(10-14)23-19(25)22-16/h4-10,12-13,20H,1-3H3,(H,21,24)
InChIKeyAPCQNVAKTSZZEG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.05
Rot. Bonds5

About 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide

2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide (PubChem CID 74671662) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide
PubChem CID74671662
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide
SMILESCc1ccccc1C(C)NC(C)C(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C19H20N4O2/c1-11-6-4-5-7-15(11)12(2)20-13(3)18(24)21-14-8-9-16-17(10-14)23-19(25)22-16/h4-10,12-13,20H,1-3H3,(H,21,24)
InChIKeyAPCQNVAKTSZZEG-UHFFFAOYSA-N
XLogP2.05
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide (CID 74671662) is 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide is Cc1ccccc1C(C)NC(C)C(=O)Nc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide?
The InChIKey is APCQNVAKTSZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-6-4-5-7-15(11)12(2)20-13(3)18(24)21-14-8-9-16-17(10-14)23-19(25)22-16/h4-10,12-13,20H,1-3H3,(H,21,24).
What are the key properties of 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide?
2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylamino]-N-(2-oxobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 74671662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).