7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide

C14H9BrFN3O — CID 91686758

IUPAC7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19)
InChIKeyPTLPMTKQVPAIEH-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.23
Rot. Bonds2

About 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide

7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 91686758) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID91686758
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C14H9BrFN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19)
InChIKeyPTLPMTKQVPAIEH-UHFFFAOYSA-N
XLogP3.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide (CID 91686758) is 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is PTLPMTKQVPAIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-5-8(13(17)20)6-11-12(10)19-14(18-11)7-1-3-9(16)4-2-7/h1-6H,(H2,17,20)(H,18,19).
What are the key properties of 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide?
7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 334.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91686758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).