2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide

C23H14Cl2N4O2 — CID 66966115

IUPAC2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H14Cl2N4O2/c24-16-2-1-3-17(25)21(16)22-28-18-9-6-14(10-19(18)29-22)23(30)27-15-7-4-13(5-8-15)20-11-26-12-31-20/h1-12H,(H,27,30)(H,28,29)
InChIKeyUMAYKRQPCHBTNA-UHFFFAOYSA-N
MW449.30 g/mol
LogP6.44
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 66966115) has the molecular formula C23H14Cl2N4O2 and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID66966115
Molecular FormulaC23H14Cl2N4O2
Molecular Weight449.30 g/mol
Exact Mass448.05
IUPAC Name2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H14Cl2N4O2/c24-16-2-1-3-17(25)21(16)22-28-18-9-6-14(10-19(18)29-22)23(30)27-15-7-4-13(5-8-15)20-11-26-12-31-20/h1-12H,(H,27,30)(H,28,29)
InChIKeyUMAYKRQPCHBTNA-UHFFFAOYSA-N
XLogP6.44
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide (CID 66966115) is 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UMAYKRQPCHBTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O2/c24-16-2-1-3-17(25)21(16)22-28-18-9-6-14(10-19(18)29-22)23(30)27-15-7-4-13(5-8-15)20-11-26-12-31-20/h1-12H,(H,27,30)(H,28,29).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 449.30 g/mol, XLogP of 6.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66966115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).