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

C20H23N3O3 — CID 6498892

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C20H23N3O3/c1-12-6-8-16(10-13(12)2)26-14(3)19(24)21-15-7-9-17-18(11-15)23(5)20(25)22(17)4/h6-11,14H,1-5H3,(H,21,24)
InChIKeyMBAQBMXOJYPCDL-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.90
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 6498892) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID6498892
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C20H23N3O3/c1-12-6-8-16(10-13(12)2)26-14(3)19(24)21-15-7-9-17-18(11-15)23(5)20(25)22(17)4/h6-11,14H,1-5H3,(H,21,24)
InChIKeyMBAQBMXOJYPCDL-UHFFFAOYSA-N
XLogP2.90
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide (CID 6498892) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is MBAQBMXOJYPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-8-16(10-13(12)2)26-14(3)19(24)21-15-7-9-17-18(11-15)23(5)20(25)22(17)4/h6-11,14H,1-5H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 6498892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).