N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide

C21H24N4O4 — CID 24789797

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O4/c1-23-18-12-16(22-20(26)14-5-4-6-15(11-14)28-3)17(25-7-9-29-10-8-25)13-19(18)24(2)21(23)27/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)
InChIKeyUUHIXEAOPRINGQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.97
Rot. Bonds4

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide (PubChem CID 24789797) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
PubChem CID24789797
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O4/c1-23-18-12-16(22-20(26)14-5-4-6-15(11-14)28-3)17(25-7-9-29-10-8-25)13-19(18)24(2)21(23)27/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)
InChIKeyUUHIXEAOPRINGQ-UHFFFAOYSA-N
XLogP1.97
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide (CID 24789797) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
The InChIKey is UUHIXEAOPRINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-23-18-12-16(22-20(26)14-5-4-6-15(11-14)28-3)17(25-7-9-29-10-8-25)13-19(18)24(2)21(23)27/h4-6,11-13H,7-10H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide has a molecular weight of 396.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 24789797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).