[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol

C24H26N8O2 — CID 101095926

IUPAC[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)(c1ccc(C(O)(c2nccn2C)c2nccn2C)cc1)c1nccn1C
InChIInChI=1S/C24H26N8O2/c1-29-13-9-25-19(29)23(33,20-26-10-14-30(20)2)17-5-7-18(8-6-17)24(34,21-27-11-15-31(21)3)22-28-12-16-32(22)4/h5-16,33-34H,1-4H3
InChIKeyHJLXXIXXFNELHJ-UHFFFAOYSA-N
MW458.53 g/mol
LogP1.19
Rot. Bonds6

About [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol

[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol (PubChem CID 101095926) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
PubChem CID101095926
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)(c1ccc(C(O)(c2nccn2C)c2nccn2C)cc1)c1nccn1C
InChIInChI=1S/C24H26N8O2/c1-29-13-9-25-19(29)23(33,20-26-10-14-30(20)2)17-5-7-18(8-6-17)24(34,21-27-11-15-31(21)3)22-28-12-16-32(22)4/h5-16,33-34H,1-4H3
InChIKeyHJLXXIXXFNELHJ-UHFFFAOYSA-N
XLogP1.19
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride
CID 11261863
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
2,2,2-tris(1-methylimidazol-2-yl)acetaldehyde
CID 71676654
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
CID 11514644
1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975146
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
CID 171986160
1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
CID 11709410
cyclohexyl-(3,4-dichlorophenyl)-(1-methylimidazol-2-yl)methanol
CID 11522934
[2-chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(1-methylimidazol-2-yl)-pyridin-4-ylmethanol
CID 74221961
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol?
The IUPAC name of [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol (CID 101095926) is [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)(c1ccc(C(O)(c2nccn2C)c2nccn2C)cc1)c1nccn1C.
What is the InChIKey of [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol?
The InChIKey is HJLXXIXXFNELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-29-13-9-25-19(29)23(33,20-26-10-14-30(20)2)17-5-7-18(8-6-17)24(34,21-27-11-15-31(21)3)22-28-12-16-32(22)4/h5-16,33-34H,1-4H3.
What are the key properties of [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol?
[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol has a molecular weight of 458.53 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 101095926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).