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

C20H22ClN3O3 — CID 21367833

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1Cl
InChIInChI=1S/C20H22ClN3O3/c1-11-8-15(9-12(2)18(11)21)27-13(3)19(25)22-14-6-7-16-17(10-14)24(5)20(26)23(16)4/h6-10,13H,1-5H3,(H,22,25)
InChIKeyBDVUNSFHYQHUCT-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.55
Rot. Bonds4

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide (PubChem CID 21367833) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
PubChem CID21367833
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1Cl
InChIInChI=1S/C20H22ClN3O3/c1-11-8-15(9-12(2)18(11)21)27-13(3)19(25)22-14-6-7-16-17(10-14)24(5)20(26)23(16)4/h6-10,13H,1-5H3,(H,22,25)
InChIKeyBDVUNSFHYQHUCT-UHFFFAOYSA-N
XLogP3.55
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133235010
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
ethyl 2-chloro-5-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 93487406
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
ethyl 2-chloro-4-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 99959076
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide (CID 21367833) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
The InChIKey is BDVUNSFHYQHUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-11-8-15(9-12(2)18(11)21)27-13(3)19(25)22-14-6-7-16-17(10-14)24(5)20(26)23(16)4/h6-10,13H,1-5H3,(H,22,25).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide has a molecular weight of 387.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 21367833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).