N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide

C14H19N3O3 — CID 139451795

IUPACN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(C)=O
InChIInChI=1S/C14H19N3O3/c1-4-20-14-16-12-6-5-11(19-3)9-13(12)17(14)8-7-15-10(2)18/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyMRWHUOOPUIAFSB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide

N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide (PubChem CID 139451795) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
PubChem CID139451795
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(C)=O
InChIInChI=1S/C14H19N3O3/c1-4-20-14-16-12-6-5-11(19-3)9-13(12)17(14)8-7-15-10(2)18/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyMRWHUOOPUIAFSB-UHFFFAOYSA-N
XLogP1.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide (CID 139451795) is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide is CCOc1nc2ccc(OC)cc2n1CCNC(C)=O.
What is the InChIKey of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is MRWHUOOPUIAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-20-14-16-12-6-5-11(19-3)9-13(12)17(14)8-7-15-10(2)18/h5-6,9H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139451795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).