N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide

C22H17BrN4O2 — CID 56532152

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H17BrN4O2/c23-16-7-5-15(6-8-16)20(28)10-12-22(29)26-17-9-11-21(24-13-17)27-14-25-18-3-1-2-4-19(18)27/h1-9,11,13-14H,10,12H2,(H,26,29)
InChIKeyFHKDKQFFCYWASQ-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.78
Rot. Bonds6

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide (PubChem CID 56532152) has the molecular formula C22H17BrN4O2 and a molecular weight of 449.31 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
PubChem CID56532152
Molecular FormulaC22H17BrN4O2
Molecular Weight449.31 g/mol
Exact Mass448.05
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H17BrN4O2/c23-16-7-5-15(6-8-16)20(28)10-12-22(29)26-17-9-11-21(24-13-17)27-14-25-18-3-1-2-4-19(18)27/h1-9,11,13-14H,10,12H2,(H,26,29)
InChIKeyFHKDKQFFCYWASQ-UHFFFAOYSA-N
XLogP4.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide
CID 55581086
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55965551
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 55632014
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51077289
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
CID 119850830

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide (CID 56532152) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide?
The InChIKey is FHKDKQFFCYWASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O2/c23-16-7-5-15(6-8-16)20(28)10-12-22(29)26-17-9-11-21(24-13-17)27-14-25-18-3-1-2-4-19(18)27/h1-9,11,13-14H,10,12H2,(H,26,29).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide has a molecular weight of 449.31 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide is sourced from PubChem (CID 56532152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).