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

C13H15ClN2O2 — CID 82560016

IUPAC3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-10(12)7-13-15-5-6-16(13)8-11(18)9-17/h1-6,11,17-18H,7-9H2
InChIKeyPFVPBUSEXMUCQD-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.48
Rot. Bonds5

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

3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol (PubChem CID 82560016) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
PubChem CID82560016
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-10(12)7-13-15-5-6-16(13)8-11(18)9-17/h1-6,11,17-18H,7-9H2
InChIKeyPFVPBUSEXMUCQD-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-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82559996
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560021
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111772827
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol
CID 154457297
1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide
CID 23619072
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
1-[tert-butyl(diphenyl)silyl]oxy-3-[2-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 90423990

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol (CID 82560016) is 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol is OCC(O)Cn1ccnc1Cc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
The InChIKey is PFVPBUSEXMUCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-10(12)7-13-15-5-6-16(13)8-11(18)9-17/h1-6,11,17-18H,7-9H2.
What are the key properties of 3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol?
3-[2-[(2-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-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82560016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).