3-imidazol-1-yl-1-phenylhexan-1-one

C15H18N2O — CID 19825175

IUPAC3-imidazol-1-yl-1-phenylhexan-1-one
SMILESCCCC(CC(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2O/c1-2-6-14(17-10-9-16-12-17)11-15(18)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3
InChIKeyKKBFJTHHGMFNCR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.50
Rot. Bonds6

About 3-imidazol-1-yl-1-phenylhexan-1-one

3-imidazol-1-yl-1-phenylhexan-1-one (PubChem CID 19825175) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-phenylhexan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-phenylhexan-1-one
PubChem CID19825175
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-imidazol-1-yl-1-phenylhexan-1-one
SMILESCCCC(CC(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2O/c1-2-6-14(17-10-9-16-12-17)11-15(18)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3
InChIKeyKKBFJTHHGMFNCR-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71365660
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
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CID 54145075
2-imidazol-1-yl-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-phenylhexan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-phenylhexan-1-one (CID 19825175) is 3-imidazol-1-yl-1-phenylhexan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-phenylhexan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-phenylhexan-1-one is CCCC(CC(=O)c1ccccc1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-1-phenylhexan-1-one?
The InChIKey is KKBFJTHHGMFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-6-14(17-10-9-16-12-17)11-15(18)13-7-4-3-5-8-13/h3-5,7-10,12,14H,2,6,11H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-phenylhexan-1-one?
3-imidazol-1-yl-1-phenylhexan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-phenylhexan-1-one is sourced from PubChem (CID 19825175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).