2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole

C16H15ClN2O — CID 64724117

IUPAC2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(C)Oc3cccc(Cl)c3)nc12
InChIInChI=1S/C16H15ClN2O/c1-10-5-3-8-14-15(10)19-16(18-14)11(2)20-13-7-4-6-12(17)9-13/h3-9,11H,1-2H3,(H,18,19)
InChIKeyZZIPUFKKVQGVTG-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.66
Rot. Bonds3

About 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole

2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole (PubChem CID 64724117) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
PubChem CID64724117
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(C)Oc3cccc(Cl)c3)nc12
InChIInChI=1S/C16H15ClN2O/c1-10-5-3-8-14-15(10)19-16(18-14)11(2)20-13-7-4-6-12(17)9-13/h3-9,11H,1-2H3,(H,18,19)
InChIKeyZZIPUFKKVQGVTG-UHFFFAOYSA-N
XLogP4.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
CID 27408412
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
CID 54322285
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 112571524
2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
CID 83857763
3-[5-[1-(3-chlorophenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 50985030
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
2-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62228931
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
CID 123493983
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole (CID 64724117) is 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(C(C)Oc3cccc(Cl)c3)nc12.
What is the InChIKey of 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole?
The InChIKey is ZZIPUFKKVQGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-5-3-8-14-15(10)19-16(18-14)11(2)20-13-7-4-6-12(17)9-13/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole?
2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole has a molecular weight of 286.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 64724117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).