2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol

C19H19ClN2O4 — CID 123614765

IUPAC2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1CC(O)C(O)C(c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)O1
InChIInChI=1S/C19H19ClN2O4/c20-12-4-5-14-15(7-12)22-19(21-14)11-3-1-2-10(6-11)18-17(25)16(24)8-13(9-23)26-18/h1-7,13,16-18,23-25H,8-9H2,(H,21,22)
InChIKeyZWFPILLDYCAJIP-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.43
Rot. Bonds3

About 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol

2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123614765) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID123614765
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1CC(O)C(O)C(c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)O1
InChIInChI=1S/C19H19ClN2O4/c20-12-4-5-14-15(7-12)22-19(21-14)11-3-1-2-10(6-11)18-17(25)16(24)8-13(9-23)26-18/h1-7,13,16-18,23-25H,8-9H2,(H,21,22)
InChIKeyZWFPILLDYCAJIP-UHFFFAOYSA-N
XLogP2.43
TPSA98.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol (CID 123614765) is 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol is OCC1CC(O)C(O)C(c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)O1.
What is the InChIKey of 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is ZWFPILLDYCAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-12-4-5-14-15(7-12)22-19(21-14)11-3-1-2-10(6-11)18-17(25)16(24)8-13(9-23)26-18/h1-7,13,16-18,23-25H,8-9H2,(H,21,22).
What are the key properties of 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol?
2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 374.82 g/mol, XLogP of 2.43, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123614765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).