1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole

C20H16ClN3O — CID 3984875

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
SMILESClc1ccc(OCCn2c(-c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C20H16ClN3O/c21-15-8-10-16(11-9-15)25-14-13-24-19-7-2-1-5-17(19)23-20(24)18-6-3-4-12-22-18/h1-12H,13-14H2
InChIKeyMNFPPZOQWWFSRW-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.83
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole

1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole (PubChem CID 3984875) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
PubChem CID3984875
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
SMILESClc1ccc(OCCn2c(-c3ccccn3)nc3ccccc32)cc1
InChIInChI=1S/C20H16ClN3O/c21-15-8-10-16(11-9-15)25-14-13-24-19-7-2-1-5-17(19)23-20(24)18-6-3-4-12-22-18/h1-12H,13-14H2
InChIKeyMNFPPZOQWWFSRW-UHFFFAOYSA-N
XLogP4.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole (CID 3984875) is 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole is Clc1ccc(OCCn2c(-c3ccccn3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole?
The InChIKey is MNFPPZOQWWFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-15-8-10-16(11-9-15)25-14-13-24-19-7-2-1-5-17(19)23-20(24)18-6-3-4-12-22-18/h1-12H,13-14H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole?
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole has a molecular weight of 349.82 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 3984875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).