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

C20H14BrN3O — CID 3011124

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrN3O/c21-15-9-5-14(6-10-15)20(25)22-16-11-7-13(8-12-16)19-23-17-3-1-2-4-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyDYLDUUQPDPOLLA-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.24
Rot. Bonds3

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide (PubChem CID 3011124) 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]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
PubChem CID3011124
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrN3O/c21-15-9-5-14(6-10-15)20(25)22-16-11-7-13(8-12-16)19-23-17-3-1-2-4-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
InChIKeyDYLDUUQPDPOLLA-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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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-(3-chloropropoxy)benzamide;ethane
CID 143026956
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24678868

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide (CID 3011124) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide?
The InChIKey is DYLDUUQPDPOLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-15-9-5-14(6-10-15)20(25)22-16-11-7-13(8-12-16)19-23-17-3-1-2-4-18(17)24-19/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-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]-4-bromobenzamide is sourced from PubChem (CID 3011124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).