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

C20H23N3O3 — CID 6499034

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H23N3O3/c1-5-18(26-15-9-6-13(2)7-10-15)19(24)21-14-8-11-16-17(12-14)23(4)20(25)22(16)3/h6-12,18H,5H2,1-4H3,(H,21,24)
InChIKeyHKCWTIJNGRDITK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.98
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide (PubChem CID 6499034) 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-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide
PubChem CID6499034
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H23N3O3/c1-5-18(26-15-9-6-13(2)7-10-15)19(24)21-14-8-11-16-17(12-14)23(4)20(25)22(16)3/h6-12,18H,5H2,1-4H3,(H,21,24)
InChIKeyHKCWTIJNGRDITK-UHFFFAOYSA-N
XLogP2.98
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.98
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-(4-methylphenoxy)butanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide (CID 6499034) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide?
The InChIKey is HKCWTIJNGRDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-18(26-15-9-6-13(2)7-10-15)19(24)21-14-8-11-16-17(12-14)23(4)20(25)22(16)3/h6-12,18H,5H2,1-4H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenoxy)butanamide has a molecular weight of 353.42 g/mol, XLogP of 2.98, 5 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-(4-methylphenoxy)butanamide is sourced from PubChem (CID 6499034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).