N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide

C19H22N4O3 — CID 127045294

IUPACN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)
InChIKeyLRUHZAAYPOAFCU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.20
Rot. Bonds4

About N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide

N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide (PubChem CID 127045294) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
PubChem CID127045294
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)
InChIKeyLRUHZAAYPOAFCU-UHFFFAOYSA-N
XLogP2.20
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide (CID 127045294) is N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The InChIKey is LRUHZAAYPOAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24).
What are the key properties of N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 127045294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).