1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol

C33H32N4O4 — CID 158043294

IUPAC1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
SMILESCOc1ccc2cc(C(=O)c3cnc[nH]3)ccc2c1.COc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C18H20N2O2.C15H12N2O2/c1-12(2)18(21,17-10-19-11-20-17)15-6-4-14-9-16(22-3)7-5-13(14)8-15;1-19-13-5-4-10-6-12(3-2-11(10)7-13)15(18)14-8-16-9-17-14/h4-12,21H,1-3H3,(H,19,20);2-9H,1H3,(H,16,17)
InChIKeyFIPNJSANCDZTER-UHFFFAOYSA-N
MW548.64 g/mol
LogP6.27
Rot. Bonds7

About 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol

1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol (PubChem CID 158043294) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
PubChem CID158043294
Molecular FormulaC33H32N4O4
Molecular Weight548.64 g/mol
Exact Mass548.24
IUPAC Name1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
SMILESCOc1ccc2cc(C(=O)c3cnc[nH]3)ccc2c1.COc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C18H20N2O2.C15H12N2O2/c1-12(2)18(21,17-10-19-11-20-17)15-6-4-14-9-16(22-3)7-5-13(14)8-15;1-19-13-5-4-10-6-12(3-2-11(10)7-13)15(18)14-8-16-9-17-14/h4-12,21H,1-3H3,(H,19,20);2-9H,1H3,(H,16,17)
InChIKeyFIPNJSANCDZTER-UHFFFAOYSA-N
XLogP6.27
TPSA113.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol with MolForge

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Related Compounds

6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
CID 18769145
[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl] 2,2-dimethylpropanoate
CID 22018422
N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 22737877
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol
CID 22018386
N,N'-bis[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl]butanediamide
CID 70122165
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
5-(6-methoxynaphthalen-2-yl)-1H-imidazole
CID 122368222
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(4-chlorophenyl)-(1H-imidazol-5-yl)methanone
CID 3851790
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate
CID 22018417
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol (CID 158043294) is 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol is COc1ccc2cc(C(=O)c3cnc[nH]3)ccc2c1.COc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1.
What is the InChIKey of 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol?
The InChIKey is FIPNJSANCDZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.C15H12N2O2/c1-12(2)18(21,17-10-19-11-20-17)15-6-4-14-9-16(22-3)7-5-13(14)8-15;1-19-13-5-4-10-6-12(3-2-11(10)7-13)15(18)14-8-16-9-17-14/h4-12,21H,1-3H3,(H,19,20);2-9H,1H3,(H,16,17).
What are the key properties of 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol?
1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol has a molecular weight of 548.64 g/mol, XLogP of 6.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 158043294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).