2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate

C17H23N3O3 — CID 3241959

IUPAC2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate
SMILESCCCCn1c(N(CCOC(C)=O)C(C)=O)nc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-5-10-20-16-9-7-6-8-15(16)18-17(20)19(13(2)21)11-12-23-14(3)22/h6-9H,4-5,10-12H2,1-3H3
InChIKeyDNYRRGNGJKAXJT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.75
Rot. Bonds7

About 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate

2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate (PubChem CID 3241959) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate
PubChem CID3241959
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate
SMILESCCCCn1c(N(CCOC(C)=O)C(C)=O)nc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-5-10-20-16-9-7-6-8-15(16)18-17(20)19(13(2)21)11-12-23-14(3)22/h6-9H,4-5,10-12H2,1-3H3
InChIKeyDNYRRGNGJKAXJT-UHFFFAOYSA-N
XLogP2.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate?
The IUPAC name of 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate (CID 3241959) is 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate?
The canonical SMILES for 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate is CCCCn1c(N(CCOC(C)=O)C(C)=O)nc2ccccc21.
What is the InChIKey of 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate?
The InChIKey is DNYRRGNGJKAXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-5-10-20-16-9-7-6-8-15(16)18-17(20)19(13(2)21)11-12-23-14(3)22/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate?
2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate has a molecular weight of 317.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(1-butylbenzimidazol-2-yl)amino]ethyl acetate is sourced from PubChem (CID 3241959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).