N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

C20H23N3O3 — CID 3237594

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)22-19(23)11-12-21-20(24)14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyIWFLXKGOLQELPW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds7

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 3237594) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID3237594
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)22-19(23)11-12-21-20(24)14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,24)
InChIKeyIWFLXKGOLQELPW-UHFFFAOYSA-N
XLogP3.05
TPSA65.38 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-iodo-4,5-dimethoxybenzamide
CID 60622965
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
3,4-dimethoxy-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976918
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976894

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 3237594) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is IWFLXKGOLQELPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23-16-8-6-5-7-15(16)22-19(23)11-12-21-20(24)14-9-10-17(25-2)18(13-14)26-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3237594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).