2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol

C10H10Cl2N2O2 — CID 11557972

IUPAC2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol
SMILESCC(O)(CO)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H10Cl2N2O2/c1-10(16,4-15)9-13-7-2-5(11)6(12)3-8(7)14-9/h2-3,15-16H,4H2,1H3,(H,13,14)
InChIKeyVDUGNZJFJGJXPE-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.07
Rot. Bonds2

About 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol

2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol (PubChem CID 11557972) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol
PubChem CID11557972
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol
SMILESCC(O)(CO)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H10Cl2N2O2/c1-10(16,4-15)9-13-7-2-5(11)6(12)3-8(7)14-9/h2-3,15-16H,4H2,1H3,(H,13,14)
InChIKeyVDUGNZJFJGJXPE-UHFFFAOYSA-N
XLogP2.07
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-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-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol?
The IUPAC name of 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol (CID 11557972) is 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol.
What is the SMILES notation for 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol?
The canonical SMILES for 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol is CC(O)(CO)c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol?
The InChIKey is VDUGNZJFJGJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-10(16,4-15)9-13-7-2-5(11)6(12)3-8(7)14-9/h2-3,15-16H,4H2,1H3,(H,13,14).
What are the key properties of 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol?
2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol has a molecular weight of 261.11 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol is sourced from PubChem (CID 11557972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).