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

C20H13ClFN3O2 — CID 10177902

IUPAC2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H13ClFN3O2/c21-15-10-14(6-7-16(15)22)27-13-4-1-11(2-5-13)20-24-17-8-3-12(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
InChIKeyTXGLUOQCFZQLHG-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.91
Rot. Bonds4

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

2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10177902) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10177902
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)c(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H13ClFN3O2/c21-15-10-14(6-7-16(15)22)27-13-4-1-11(2-5-13)20-24-17-8-3-12(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
InChIKeyTXGLUOQCFZQLHG-UHFFFAOYSA-N
XLogP4.91
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10177902) is 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)c(Cl)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is TXGLUOQCFZQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c21-15-10-14(6-7-16(15)22)27-13-4-1-11(2-5-13)20-24-17-8-3-12(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25).
What are the key properties of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 381.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10177902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).