N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide

C14H9Br2N3O — CID 61261029

IUPACN-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9Br2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyYSHGHGQRVMHNEJ-UHFFFAOYSA-N
MW395.05 g/mol
LogP4.34
Rot. Bonds2

About N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide

N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 61261029) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID61261029
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC NameN-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H9Br2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyYSHGHGQRVMHNEJ-UHFFFAOYSA-N
XLogP4.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 43582883
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-(2-bromo-6-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 107602612
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide (CID 61261029) is N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1cc(Br)ccc1Br)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is YSHGHGQRVMHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h1-7H,(H,17,18)(H,19,20).
What are the key properties of N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide?
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 395.05 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 61261029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).