N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide

C13H23N3O — CID 25134063

IUPACN,N-dibutyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O/c1-3-5-7-16(8-6-4-2)13(17)9-12-10-14-11-15-12/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPMSYGTRUMFCVOY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.38
Rot. Bonds8

About N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide

N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 25134063) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID25134063
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,N-dibutyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C13H23N3O/c1-3-5-7-16(8-6-4-2)13(17)9-12-10-14-11-15-12/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPMSYGTRUMFCVOY-UHFFFAOYSA-N
XLogP2.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide (CID 25134063) is N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide is CCCCN(CCCC)C(=O)Cc1cnc[nH]1.
What is the InChIKey of N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is PMSYGTRUMFCVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-7-16(8-6-4-2)13(17)9-12-10-14-11-15-12/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide?
N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 25134063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).