N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide

C20H23N3O4 — CID 49199824

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OCC
InChIInChI=1S/C20H23N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)19(24)21-14-8-9-15-16(12-14)23(4)20(25)22(15)3/h7-12H,5-6H2,1-4H3,(H,21,24)
InChIKeyPIQTYSIXHLIJQU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.93
Rot. Bonds6

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide (PubChem CID 49199824) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
PubChem CID49199824
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OCC
InChIInChI=1S/C20H23N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)19(24)21-14-8-9-15-16(12-14)23(4)20(25)22(15)3/h7-12H,5-6H2,1-4H3,(H,21,24)
InChIKeyPIQTYSIXHLIJQU-UHFFFAOYSA-N
XLogP2.93
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide (CID 49199824) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OCC.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide?
The InChIKey is PIQTYSIXHLIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)19(24)21-14-8-9-15-16(12-14)23(4)20(25)22(15)3/h7-12H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 49199824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).