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

C20H23N3O3 — CID 3236285

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-5-23-16-9-7-6-8-15(16)22-19(23)13(2)21-20(24)14-10-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3,(H,21,24)
InChIKeyAOESDHHCNPWKEQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.56
Rot. Bonds6

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

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 3236285) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID3236285
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-5-23-16-9-7-6-8-15(16)22-19(23)13(2)21-20(24)14-10-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3,(H,21,24)
InChIKeyAOESDHHCNPWKEQ-UHFFFAOYSA-N
XLogP3.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 3236285) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is CCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is AOESDHHCNPWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-23-16-9-7-6-8-15(16)22-19(23)13(2)21-20(24)14-10-11-17(25-3)18(12-14)26-4/h6-13H,5H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3236285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).