5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole

C19H18Cl2N2O2 — CID 46310104

IUPAC5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
SMILESClc1ccc(OCc2nc3cc(Cl)ccc3n2CC2CCCO2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-6-15(7-4-13)25-12-19-22-17-10-14(21)5-8-18(17)23(19)11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2
InChIKeySZHPLKWDVNXQOH-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.10
Rot. Bonds5

About 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole

5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole (PubChem CID 46310104) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
PubChem CID46310104
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
SMILESClc1ccc(OCc2nc3cc(Cl)ccc3n2CC2CCCO2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-6-15(7-4-13)25-12-19-22-17-10-14(21)5-8-18(17)23(19)11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2
InChIKeySZHPLKWDVNXQOH-UHFFFAOYSA-N
XLogP5.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
1-[3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]-N,N-dimethylpiperidin-4-amine
CID 21188553
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 47045903
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
2-[[[2-(3-chlorophenyl)acetyl]amino]methyl]-1-(oxolan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 42817367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole?
The IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole (CID 46310104) is 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole is Clc1ccc(OCc2nc3cc(Cl)ccc3n2CC2CCCO2)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole?
The InChIKey is SZHPLKWDVNXQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-13-3-6-15(7-4-13)25-12-19-22-17-10-14(21)5-8-18(17)23(19)11-16-2-1-9-24-16/h3-8,10,16H,1-2,9,11-12H2.
What are the key properties of 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole?
5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole has a molecular weight of 377.27 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 46310104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).