4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide

C19H23N5O — CID 46970439

IUPAC4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide
SMILESCC(C)c1nccn1-c1ccc(NC(=O)CCCn2ccnc2)cc1
InChIInChI=1S/C19H23N5O/c1-15(2)19-21-10-13-24(19)17-7-5-16(6-8-17)22-18(25)4-3-11-23-12-9-20-14-23/h5-10,12-15H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyPLLJPDLUEYTXGN-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.61
Rot. Bonds7

About 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide

4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide (PubChem CID 46970439) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide
PubChem CID46970439
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide
SMILESCC(C)c1nccn1-c1ccc(NC(=O)CCCn2ccnc2)cc1
InChIInChI=1S/C19H23N5O/c1-15(2)19-21-10-13-24(19)17-7-5-16(6-8-17)22-18(25)4-3-11-23-12-9-20-14-23/h5-10,12-15H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyPLLJPDLUEYTXGN-UHFFFAOYSA-N
XLogP3.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide
CID 46969878
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethylhexanoic acid
CID 13422045
4-imidazol-1-yl-N-(1H-pyrazol-4-yl)butanamide
CID 166195192
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
(1R,6S)-6-[[4-(2-propan-2-ylimidazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40823466
(1R,6R)-6-[[4-(2-propan-2-ylimidazol-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40822981
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
bis(but-2-enedioic acid);N-(2,6-dimethylphenyl)-4-imidazol-1-ylbutanamide
CID 67910793
(E)-but-2-enedioic acid;N-(2,6-dimethylphenyl)-4-imidazol-1-ylbutanamide
CID 131715267
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide (CID 46970439) is 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide is CC(C)c1nccn1-c1ccc(NC(=O)CCCn2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide?
The InChIKey is PLLJPDLUEYTXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15(2)19-21-10-13-24(19)17-7-5-16(6-8-17)22-18(25)4-3-11-23-12-9-20-14-23/h5-10,12-15H,3-4,11H2,1-2H3,(H,22,25).
What are the key properties of 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide?
4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide has a molecular weight of 337.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 46970439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).