3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol

C13H15ClN2O2 — CID 82559996

IUPAC3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-11-3-1-2-10(6-11)7-13-15-4-5-16(13)8-12(18)9-17/h1-6,12,17-18H,7-9H2
InChIKeyQRRAFYZFKHPSRS-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.48
Rot. Bonds5

About 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol

3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol (PubChem CID 82559996) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
PubChem CID82559996
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-11-3-1-2-10(6-11)7-13-15-4-5-16(13)8-12(18)9-17/h1-6,12,17-18H,7-9H2
InChIKeyQRRAFYZFKHPSRS-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 166218702
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol (CID 82559996) is 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol is OCC(O)Cn1ccnc1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The InChIKey is QRRAFYZFKHPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-3-1-2-10(6-11)7-13-15-4-5-16(13)8-12(18)9-17/h1-6,12,17-18H,7-9H2.
What are the key properties of 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol has a molecular weight of 266.73 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82559996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).