(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol

C17H15ClN2O — CID 3795291

IUPAC(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol
SMILESCn1c(Cl)cnc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-20-15(18)12-19-16(20)17(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,21H,1H3
InChIKeyNJKKPYZPUIPHHR-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.36
Rot. Bonds3

About (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol

(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol (PubChem CID 3795291) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol
PubChem CID3795291
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol
SMILESCn1c(Cl)cnc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-20-15(18)12-19-16(20)17(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,21H,1H3
InChIKeyNJKKPYZPUIPHHR-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol (CID 3795291) is (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol is Cn1c(Cl)cnc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol?
The InChIKey is NJKKPYZPUIPHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-20-15(18)12-19-16(20)17(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,21H,1H3.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol?
(5-chloro-1-methylimidazol-2-yl)-diphenylmethanol has a molecular weight of 298.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)-diphenylmethanol is sourced from PubChem (CID 3795291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).