2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide

C15H11BrFN3O — CID 60707578

IUPAC2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C15H11BrFN3O/c1-8-18-13-5-3-10(7-14(13)19-8)20-15(21)11-6-9(17)2-4-12(11)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyVFUIWRBPXDPFCM-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.03
Rot. Bonds2

About 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide

2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide (PubChem CID 60707578) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
PubChem CID60707578
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(F)ccc3Br)cc2[nH]1
InChIInChI=1S/C15H11BrFN3O/c1-8-18-13-5-3-10(7-14(13)19-8)20-15(21)11-6-9(17)2-4-12(11)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyVFUIWRBPXDPFCM-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide (CID 60707578) is 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide is Cc1nc2ccc(NC(=O)c3cc(F)ccc3Br)cc2[nH]1.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is VFUIWRBPXDPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-8-18-13-5-3-10(7-14(13)19-8)20-15(21)11-6-9(17)2-4-12(11)16/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide?
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 348.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 60707578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).