2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide

C22H18ClN3O2 — CID 1348351

IUPAC2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c23-18-11-5-4-10-17(18)21(27)25-22-24-19-12-6-7-13-20(19)26(22)14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27)
InChIKeyHJMFHYKRJMBGHV-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.02
Rot. Bonds6

About 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide

2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide (PubChem CID 1348351) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
PubChem CID1348351
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O2/c23-18-11-5-4-10-17(18)21(27)25-22-24-19-12-6-7-13-20(19)26(22)14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27)
InChIKeyHJMFHYKRJMBGHV-UHFFFAOYSA-N
XLogP5.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11518511
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1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
2-((4-chlorophenoxy)methyl)-1-phenethyl-1H-benzo[d]imidazole
CID 1260808
2-((1E)-2-{1-[(2-chlorophenyl)methyl]benzimidazol-2-yl}vinyl)furan
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N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-(4-Chloro-phenoxymethyl)-1-(3-piperidin-3-yl-propyl)-1H-benzoimidazole
CID 10601376
2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11511483
2-(4-((1-(4-chlorobenzyl)piperidin-3-yl)methoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11691398
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyramide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide (CID 1348351) is 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide?
The InChIKey is HJMFHYKRJMBGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-11-5-4-10-17(18)21(27)25-22-24-19-12-6-7-13-20(19)26(22)14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27).
What are the key properties of 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide?
2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide has a molecular weight of 391.86 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1348351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).