N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide

C19H13BrN4O — CID 1207571

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN4O/c20-14-9-13(10-21-11-14)19(25)22-15-7-5-12(6-8-15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyXTCKNTUMKSWHGF-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.64
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide (PubChem CID 1207571) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide
PubChem CID1207571
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN4O/c20-14-9-13(10-21-11-14)19(25)22-15-7-5-12(6-8-15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyXTCKNTUMKSWHGF-UHFFFAOYSA-N
XLogP4.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide (CID 1207571) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cncc(Br)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide?
The InChIKey is XTCKNTUMKSWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-14-9-13(10-21-11-14)19(25)22-15-7-5-12(6-8-15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 1207571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).