4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide

C16H25N5O — CID 70720214

IUPAC4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide
SMILESCCCCc1ncc(-c2nccn2CCCC(=O)N(C)C)[nH]1
InChIInChI=1S/C16H25N5O/c1-4-5-7-14-18-12-13(19-14)16-17-9-11-21(16)10-6-8-15(22)20(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyCJFNEQQZJOVGRM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds8

About 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide

4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide (PubChem CID 70720214) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide
PubChem CID70720214
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide
SMILESCCCCc1ncc(-c2nccn2CCCC(=O)N(C)C)[nH]1
InChIInChI=1S/C16H25N5O/c1-4-5-7-14-18-12-13(19-14)16-17-9-11-21(16)10-6-8-15(22)20(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyCJFNEQQZJOVGRM-UHFFFAOYSA-N
XLogP2.48
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide (CID 70720214) is 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide is CCCCc1ncc(-c2nccn2CCCC(=O)N(C)C)[nH]1.
What is the InChIKey of 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide?
The InChIKey is CJFNEQQZJOVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-5-7-14-18-12-13(19-14)16-17-9-11-21(16)10-6-8-15(22)20(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide?
4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide has a molecular weight of 303.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 70720214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).