5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol

C13H15ClN2O2 — CID 154457297

IUPAC5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol
SMILESOCCCn1ccnc1Cc1ccc(Cl)cc1O
InChIInChI=1S/C13H15ClN2O2/c14-11-3-2-10(12(18)9-11)8-13-15-4-6-16(13)5-1-7-17/h2-4,6,9,17-18H,1,5,7-8H2
InChIKeyMYDQSCITDJJBBH-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.22
Rot. Bonds5

About 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol

5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol (PubChem CID 154457297) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol
PubChem CID154457297
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol
SMILESOCCCn1ccnc1Cc1ccc(Cl)cc1O
InChIInChI=1S/C13H15ClN2O2/c14-11-3-2-10(12(18)9-11)8-13-15-4-6-16(13)5-1-7-17/h2-4,6,9,17-18H,1,5,7-8H2
InChIKeyMYDQSCITDJJBBH-UHFFFAOYSA-N
XLogP2.22
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82559996
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
4-chloro-2-[[1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]methyl]phenol
CID 10948169
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
3-[[2-[(2,3,4-trifluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558402
3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558131
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
CID 79737643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol?
The IUPAC name of 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol (CID 154457297) is 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol.
What is the SMILES notation for 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol?
The canonical SMILES for 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol is OCCCn1ccnc1Cc1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol?
The InChIKey is MYDQSCITDJJBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-3-2-10(12(18)9-11)8-13-15-4-6-16(13)5-1-7-17/h2-4,6,9,17-18H,1,5,7-8H2.
What are the key properties of 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol?
5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol has a molecular weight of 266.73 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol is sourced from PubChem (CID 154457297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).