2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide

C20H13Cl2N3O2 — CID 10135471

IUPAC2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H13Cl2N3O2/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)20-24-17-8-1-11(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
InChIKeyHFODTOJSGSGHID-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.43
Rot. Bonds4

About 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10135471) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10135471
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H13Cl2N3O2/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)20-24-17-8-1-11(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
InChIKeyHFODTOJSGSGHID-UHFFFAOYSA-N
XLogP5.43
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10135471) is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HFODTOJSGSGHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)20-24-17-8-1-11(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25).
What are the key properties of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10135471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).