di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone

C32H24N6O4 — CID 90784626

IUPACdi(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone
SMILESCc1cc2ccccc2c(-c2c(O)c(C(=O)n3ccnc3)cc3ccccc23)c1O.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C25H18N2O3.C7H6N4O/c1-15-12-16-6-2-4-8-18(16)21(23(15)28)22-19-9-5-3-7-17(19)13-20(24(22)29)25(30)27-11-10-26-14-27;12-7(10-3-1-8-5-10)11-4-2-9-6-11/h2-14,28-29H,1H3;1-6H
InChIKeyOIOITDXONGJPQF-UHFFFAOYSA-N
MW556.58 g/mol
LogP5.86
Rot. Bonds2

About di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone

di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone (PubChem CID 90784626) has the molecular formula C32H24N6O4 and a molecular weight of 556.58 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone
PubChem CID90784626
Molecular FormulaC32H24N6O4
Molecular Weight556.58 g/mol
Exact Mass556.19
IUPAC Namedi(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone
SMILESCc1cc2ccccc2c(-c2c(O)c(C(=O)n3ccnc3)cc3ccccc23)c1O.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C25H18N2O3.C7H6N4O/c1-15-12-16-6-2-4-8-18(16)21(23(15)28)22-19-9-5-3-7-17(19)13-20(24(22)29)25(30)27-11-10-26-14-27;12-7(10-3-1-8-5-10)11-4-2-9-6-11/h2-14,28-29H,1H3;1-6H
InChIKeyOIOITDXONGJPQF-UHFFFAOYSA-N
XLogP5.86
TPSA128.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.58
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone?
The IUPAC name of di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone (CID 90784626) is di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone?
The canonical SMILES for di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone is Cc1cc2ccccc2c(-c2c(O)c(C(=O)n3ccnc3)cc3ccccc23)c1O.O=C(n1ccnc1)n1ccnc1.
What is the InChIKey of di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone?
The InChIKey is OIOITDXONGJPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3.C7H6N4O/c1-15-12-16-6-2-4-8-18(16)21(23(15)28)22-19-9-5-3-7-17(19)13-20(24(22)29)25(30)27-11-10-26-14-27;12-7(10-3-1-8-5-10)11-4-2-9-6-11/h2-14,28-29H,1H3;1-6H.
What are the key properties of di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone?
di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone has a molecular weight of 556.58 g/mol, XLogP of 5.86, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanone;[3-hydroxy-4-(2-hydroxy-3-methylnaphthalen-1-yl)naphthalen-2-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 90784626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).