3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide

C20H23N3O3 — CID 16597390

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-3-14-26-18-11-7-4-8-15(18)21-19(24)12-13-23-17-10-6-5-9-16(17)22(2)20(23)25/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyBQTPUGYADMKHTE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.16
Rot. Bonds7

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide (PubChem CID 16597390) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
PubChem CID16597390
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
SMILESCCCOc1ccccc1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-3-14-26-18-11-7-4-8-15(18)21-19(24)12-13-23-17-10-6-5-9-16(17)22(2)20(23)25/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyBQTPUGYADMKHTE-UHFFFAOYSA-N
XLogP3.16
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 16591562
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18225583

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide (CID 16597390) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide is CCCOc1ccccc1NC(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide?
The InChIKey is BQTPUGYADMKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-14-26-18-11-7-4-8-15(18)21-19(24)12-13-23-17-10-6-5-9-16(17)22(2)20(23)25/h4-11H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide is sourced from PubChem (CID 16597390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).