N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C20H22ClN3O3 — CID 18136969

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22ClN3O3/c1-22(13-14-27-16-9-7-15(21)8-10-16)19(25)11-12-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-10H,11-14H2,1-2H3
InChIKeyRNAAKTRNHRWLFT-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18136969) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18136969
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22ClN3O3/c1-22(13-14-27-16-9-7-15(21)8-10-16)19(25)11-12-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-10H,11-14H2,1-2H3
InChIKeyRNAAKTRNHRWLFT-UHFFFAOYSA-N
XLogP2.92
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylpropanamide
CID 18280557
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
N-[2-(4-bromophenoxy)ethyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546255
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 29467754
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 24519211
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18136969) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CN(CCOc1ccc(Cl)cc1)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is RNAAKTRNHRWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-22(13-14-27-16-9-7-15(21)8-10-16)19(25)11-12-24-18-6-4-3-5-17(18)23(2)20(24)26/h3-10H,11-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 387.87 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18136969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).