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

C16H23N3O3 — CID 139451763

IUPACN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc21
InChIInChI=1S/C16H23N3O3/c1-4-6-15(20)17-9-10-19-14-11-12(21-3)7-8-13(14)18-16(19)22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOTYNCFBIMOPRBT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.36
Rot. Bonds8

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

N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide (PubChem CID 139451763) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
PubChem CID139451763
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc21
InChIInChI=1S/C16H23N3O3/c1-4-6-15(20)17-9-10-19-14-11-12(21-3)7-8-13(14)18-16(19)22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyOTYNCFBIMOPRBT-UHFFFAOYSA-N
XLogP2.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.36
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]butanamide?
The IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide (CID 139451763) is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide is CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc21.
What is the InChIKey of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is OTYNCFBIMOPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-6-15(20)17-9-10-19-14-11-12(21-3)7-8-13(14)18-16(19)22-5-2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide?
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 305.38 g/mol, XLogP of 2.36, 8 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]butanamide is sourced from PubChem (CID 139451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).