N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide

C20H14BrN3O — CID 1105604

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H14BrN3O/c21-15-5-3-4-14(12-15)20(25)22-16-10-8-13(9-11-16)19-23-17-6-1-2-7-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyMJNYUTKENWWJIL-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.24
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide (PubChem CID 1105604) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide
PubChem CID1105604
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H14BrN3O/c21-15-5-3-4-14(12-15)20(25)22-16-10-8-13(9-11-16)19-23-17-6-1-2-7-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyMJNYUTKENWWJIL-UHFFFAOYSA-N
XLogP5.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide (CID 1105604) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide?
The InChIKey is MJNYUTKENWWJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-15-5-3-4-14(12-15)20(25)22-16-10-8-13(9-11-16)19-23-17-6-1-2-7-18(17)24-19/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide has a molecular weight of 392.26 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromobenzamide is sourced from PubChem (CID 1105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).