[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol

C52H42N10O4S — CID 160750264

IUPAC[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
SMILESCn1c(CO)cnc1-c1nn(-c2ccccc2)c2ccccc12.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C18H16N4O.C17H13N3O2.C17H13N3OS/c1-21-14(12-23)11-19-18(21)17-15-9-5-6-10-16(15)22(20-17)13-7-3-2-4-8-13;2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2-11,23H,12H2,1H3;2*1-10,21H,11H2
InChIKeyRWSLFPGPHUNHAF-UHFFFAOYSA-N
MW903.04 g/mol
LogP9.73
Rot. Bonds9

About [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol

[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 160750264) has the molecular formula C52H42N10O4S and a molecular weight of 903.04 g/mol. Its IUPAC name is [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
PubChem CID160750264
Molecular FormulaC52H42N10O4S
Molecular Weight903.04 g/mol
Exact Mass902.31
IUPAC Name[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
SMILESCn1c(CO)cnc1-c1nn(-c2ccccc2)c2ccccc12.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C18H16N4O.C17H13N3O2.C17H13N3OS/c1-21-14(12-23)11-19-18(21)17-15-9-5-6-10-16(15)22(20-17)13-7-3-2-4-8-13;2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2-11,23H,12H2,1H3;2*1-10,21H,11H2
InChIKeyRWSLFPGPHUNHAF-UHFFFAOYSA-N
XLogP9.73
TPSA170.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.04
LogP ≤ 59.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

[2-(1-Phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol
CID 157297047
[1-Methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-4-yl]methanol
CID 157574639
[2-(1-Benzylindazol-3-yl)-3-methylimidazol-4-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-benzylindazol-3-yl)-1,3-thiazol-5-yl]methanol
CID 157917136
CID 158142596
CID 158142596
[1-Methyl-5-(1-phenylindazol-3-yl)imidazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 158560839
[1-Methyl-4-(1-phenylindazol-3-yl)imidazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-oxazol-2-yl]methanol;[5-(1-phenylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 159010429
2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide
CID 160611215
2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzoxazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione
CID 162149472

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol (CID 160750264) is [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol is Cn1c(CO)cnc1-c1nn(-c2ccccc2)c2ccccc12.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)o1.OCc1cnc(-c2nn(-c3ccccc3)c3ccccc23)s1.
What is the InChIKey of [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is RWSLFPGPHUNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O.C17H13N3O2.C17H13N3OS/c1-21-14(12-23)11-19-18(21)17-15-9-5-6-10-16(15)22(20-17)13-7-3-2-4-8-13;2*21-11-13-10-18-17(22-13)16-14-8-4-5-9-15(14)20(19-16)12-6-2-1-3-7-12/h2-11,23H,12H2,1H3;2*1-10,21H,11H2.
What are the key properties of [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol?
[3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 903.04 g/mol, XLogP of 9.73, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1-phenylindazol-3-yl)imidazol-4-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-oxazol-5-yl]methanol;[2-(1-phenylindazol-3-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 160750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).