2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

C14H10Cl2N2O — CID 18476

IUPAC2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)
InChIKeyCXKZUNIQSJXPPO-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.45
Rot. Bonds3

About 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole (PubChem CID 18476) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole
PubChem CID18476
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole
SMILESClc1ccc(OCc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)
InChIKeyCXKZUNIQSJXPPO-UHFFFAOYSA-N
XLogP4.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole
CID 394278
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-[(4-bromophenoxy)methyl]-1H-benzimidazole
CID 2433260
2-Phenoxymethyl-1H-benzoimidazol-5-ylamine
CID 6490168
2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 709499
2-(Phenoxymethyl)-1H-benzimidazole
CID 210074
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 2066617
1-[2-(4-Chloro-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 761923
6-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole
CID 46838417
2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 752039
1-[2-(4-chlorophenoxy)ethyl]-1H-benzimidazole
CID 803004

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole (CID 18476) is 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole is Clc1ccc(OCc2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole?
The InChIKey is CXKZUNIQSJXPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole?
2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole has a molecular weight of 293.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 18476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).