3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one

C17H16N2O — CID 114529474

IUPAC3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
SMILESCn1ccnc1CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H16N2O/c1-19-12-11-18-17(19)10-9-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12H,9-10H2,1H3
InChIKeyTXYKPKPQIWALBU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.39
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one

3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one (PubChem CID 114529474) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
PubChem CID114529474
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
SMILESCn1ccnc1CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H16N2O/c1-19-12-11-18-17(19)10-9-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12H,9-10H2,1H3
InChIKeyTXYKPKPQIWALBU-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133820
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133836
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one (CID 114529474) is 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one is Cn1ccnc1CCC(=O)c1cccc2ccccc12.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one?
The InChIKey is TXYKPKPQIWALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-12-11-18-17(19)10-9-16(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one?
3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 114529474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).