2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol

C14H10Cl2N2O2 — CID 21188600

IUPAC2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(COc3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C14H10Cl2N2O2/c15-8-4-9(16)6-10(5-8)20-7-13-17-11-2-1-3-12(19)14(11)18-13/h1-6,19H,7H2,(H,17,18)
InChIKeyFVWIXADCKIOMHP-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.15
Rot. Bonds3

About 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol

2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol (PubChem CID 21188600) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol
PubChem CID21188600
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol
SMILESOc1cccc2[nH]c(COc3cc(Cl)cc(Cl)c3)nc12
InChIInChI=1S/C14H10Cl2N2O2/c15-8-4-9(16)6-10(5-8)20-7-13-17-11-2-1-3-12(19)14(11)18-13/h1-6,19H,7H2,(H,17,18)
InChIKeyFVWIXADCKIOMHP-UHFFFAOYSA-N
XLogP4.15
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol 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-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol (CID 21188600) is 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol is Oc1cccc2[nH]c(COc3cc(Cl)cc(Cl)c3)nc12.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol?
The InChIKey is FVWIXADCKIOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-8-4-9(16)6-10(5-8)20-7-13-17-11-2-1-3-12(19)14(11)18-13/h1-6,19H,7H2,(H,17,18).
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol?
2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol has a molecular weight of 309.15 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol is sourced from PubChem (CID 21188600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).