2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole

C15H12Cl2N2O — CID 54322285

IUPAC2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(Cl)Oc3ccccc3Cl)nc12
InChIInChI=1S/C15H12Cl2N2O/c1-9-5-4-7-11-13(9)19-15(18-11)14(17)20-12-8-3-2-6-10(12)16/h2-8,14H,1H3,(H,18,19)
InChIKeySSMAWULVBPABPB-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.84
Rot. Bonds3

About 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole

2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole (PubChem CID 54322285) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
PubChem CID54322285
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(Cl)Oc3ccccc3Cl)nc12
InChIInChI=1S/C15H12Cl2N2O/c1-9-5-4-7-11-13(9)19-15(18-11)14(17)20-12-8-3-2-6-10(12)16/h2-8,14H,1H3,(H,18,19)
InChIKeySSMAWULVBPABPB-UHFFFAOYSA-N
XLogP4.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole (CID 54322285) is 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(C(Cl)Oc3ccccc3Cl)nc12.
What is the InChIKey of 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole?
The InChIKey is SSMAWULVBPABPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-9-5-4-7-11-13(9)19-15(18-11)14(17)20-12-8-3-2-6-10(12)16/h2-8,14H,1H3,(H,18,19).
What are the key properties of 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole?
2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole has a molecular weight of 307.18 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 54322285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).