2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide

C15H21N3O2 — CID 5013260

IUPAC2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)NC(=O)COC)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-4-9-18-13-8-6-5-7-12(13)17-15(18)11(2)16-14(19)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyQDTDOBMMJDFZDE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.27
Rot. Bonds6

About 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide

2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 5013260) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID5013260
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCn1c(C(C)NC(=O)COC)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-4-9-18-13-8-6-5-7-12(13)17-15(18)11(2)16-14(19)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)
InChIKeyQDTDOBMMJDFZDE-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide (CID 5013260) is 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide is CCCn1c(C(C)NC(=O)COC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is QDTDOBMMJDFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-9-18-13-8-6-5-7-12(13)17-15(18)11(2)16-14(19)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,19).
What are the key properties of 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide?
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 5013260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).