(2-butyl-1H-imidazol-5-yl)methyl acetate

C10H16N2O2 — CID 57154458

IUPAC(2-butyl-1H-imidazol-5-yl)methyl acetate
SMILESCCCCc1ncc(COC(C)=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-10-11-6-9(12-10)7-14-8(2)13/h6H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyNBTLIKHYMBBKDQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds5

About (2-butyl-1H-imidazol-5-yl)methyl acetate

(2-butyl-1H-imidazol-5-yl)methyl acetate (PubChem CID 57154458) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-butyl-1H-imidazol-5-yl)methyl acetate.

Molecular Properties

Compound Name(2-butyl-1H-imidazol-5-yl)methyl acetate
PubChem CID57154458
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2-butyl-1H-imidazol-5-yl)methyl acetate
SMILESCCCCc1ncc(COC(C)=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-4-5-10-11-6-9(12-10)7-14-8(2)13/h6H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyNBTLIKHYMBBKDQ-UHFFFAOYSA-N
XLogP1.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1H-imidazol-5-yl)methyl acetate?
The IUPAC name of (2-butyl-1H-imidazol-5-yl)methyl acetate (CID 57154458) is (2-butyl-1H-imidazol-5-yl)methyl acetate.
What is the SMILES notation for (2-butyl-1H-imidazol-5-yl)methyl acetate?
The canonical SMILES for (2-butyl-1H-imidazol-5-yl)methyl acetate is CCCCc1ncc(COC(C)=O)[nH]1.
What is the InChIKey of (2-butyl-1H-imidazol-5-yl)methyl acetate?
The InChIKey is NBTLIKHYMBBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-5-10-11-6-9(12-10)7-14-8(2)13/h6H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of (2-butyl-1H-imidazol-5-yl)methyl acetate?
(2-butyl-1H-imidazol-5-yl)methyl acetate has a molecular weight of 196.25 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1H-imidazol-5-yl)methyl acetate is sourced from PubChem (CID 57154458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).