2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol

C11H12N2O3 — CID 174746692

IUPAC2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol
SMILESOCc1ncn(-c2ccccc2O)c1CO
InChIInChI=1S/C11H12N2O3/c14-5-8-10(6-15)13(7-12-8)9-3-1-2-4-11(9)16/h1-4,7,14-16H,5-6H2
InChIKeyRFPCIZQKHGSNKI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.56
Rot. Bonds3

About 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol

2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol (PubChem CID 174746692) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol
PubChem CID174746692
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol
SMILESOCc1ncn(-c2ccccc2O)c1CO
InChIInChI=1S/C11H12N2O3/c14-5-8-10(6-15)13(7-12-8)9-3-1-2-4-11(9)16/h1-4,7,14-16H,5-6H2
InChIKeyRFPCIZQKHGSNKI-UHFFFAOYSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-4H-imidazo[1,5-a]indol-4-ol
CID 121254827
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
CID 115056385
2-[1-(2-hydroxyphenyl)imidazol-2-yl]phenol
CID 135817525
[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol
CID 20735887
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
4-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 19025440
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-[1-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]acetic acid
CID 115031136
1-(5-methyl-1-phenylimidazol-4-yl)propan-2-imine
CID 90922480
2-(triazol-2-yl)phenol;hydrochloride
CID 156757667
2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475763

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol?
The IUPAC name of 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol (CID 174746692) is 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol.
What is the SMILES notation for 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol?
The canonical SMILES for 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol is OCc1ncn(-c2ccccc2O)c1CO.
What is the InChIKey of 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol?
The InChIKey is RFPCIZQKHGSNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-5-8-10(6-15)13(7-12-8)9-3-1-2-4-11(9)16/h1-4,7,14-16H,5-6H2.
What are the key properties of 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol?
2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol has a molecular weight of 220.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol is sourced from PubChem (CID 174746692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).