2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide

C26H17Cl2N3O2 — CID 66966551

IUPAC2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)n1c(-c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C26H17Cl2N3O2/c27-20-9-6-10-21(28)24(20)25-30-22-11-4-5-12-23(22)31(25)26(32)29-17-13-15-19(16-14-17)33-18-7-2-1-3-8-18/h1-16H,(H,29,32)
InChIKeyZCGGCPPVEQLJQO-UHFFFAOYSA-N
MW474.35 g/mol
LogP7.88
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide

2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide (PubChem CID 66966551) has the molecular formula C26H17Cl2N3O2 and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide
PubChem CID66966551
Molecular FormulaC26H17Cl2N3O2
Molecular Weight474.35 g/mol
Exact Mass473.07
IUPAC Name2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)n1c(-c2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C26H17Cl2N3O2/c27-20-9-6-10-21(28)24(20)25-30-22-11-4-5-12-23(22)31(25)26(32)29-17-13-15-19(16-14-17)33-18-7-2-1-3-8-18/h1-16H,(H,29,32)
InChIKeyZCGGCPPVEQLJQO-UHFFFAOYSA-N
XLogP7.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide (CID 66966551) is 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)n1c(-c2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide?
The InChIKey is ZCGGCPPVEQLJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3O2/c27-20-9-6-10-21(28)24(20)25-30-22-11-4-5-12-23(22)31(25)26(32)29-17-13-15-19(16-14-17)33-18-7-2-1-3-8-18/h1-16H,(H,29,32).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide?
2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 7.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(4-phenoxyphenyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 66966551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).