2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide

C20H23N3O2S — CID 55390499

IUPAC2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCCOc1ccc(-n2c(SC(C)C(=O)N(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2S/c1-5-25-16-12-10-15(11-13-16)23-18-9-7-6-8-17(18)21-20(23)26-14(2)19(24)22(3)4/h6-14H,5H2,1-4H3
InChIKeyCOXIKCWITOODKD-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.99
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide

2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide (PubChem CID 55390499) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
PubChem CID55390499
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCCOc1ccc(-n2c(SC(C)C(=O)N(C)C)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2S/c1-5-25-16-12-10-15(11-13-16)23-18-9-7-6-8-17(18)21-20(23)26-14(2)19(24)22(3)4/h6-14H,5H2,1-4H3
InChIKeyCOXIKCWITOODKD-UHFFFAOYSA-N
XLogP3.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689209
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021
(2R)-N-benzyl-N-methyl-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7855841
N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 42968976
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetate
CID 27720476
2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7224396
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3949503
N-(ethylcarbamoyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 4814960
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-methylpentanamide
CID 130183558
(2S)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 26517105

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide (CID 55390499) is 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide is CCOc1ccc(-n2c(SC(C)C(=O)N(C)C)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The InChIKey is COXIKCWITOODKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-25-16-12-10-15(11-13-16)23-18-9-7-6-8-17(18)21-20(23)26-14(2)19(24)22(3)4/h6-14H,5H2,1-4H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 55390499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).