N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide

C16H13BrN4O2 — CID 56973529

IUPACN-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide
SMILESCC(/N=N/C(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-9,22H,1H3,(H,18,19)/b21-20+
InChIKeyNQBYUYQWCOSADV-QZQOTICOSA-N
MW373.21 g/mol
LogP4.38
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide

N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide (PubChem CID 56973529) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide
PubChem CID56973529
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide
SMILESCC(/N=N/C(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-9,22H,1H3,(H,18,19)/b21-20+
InChIKeyNQBYUYQWCOSADV-QZQOTICOSA-N
XLogP4.38
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide (CID 56973529) is N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide is CC(/N=N/C(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide?
The InChIKey is NQBYUYQWCOSADV-QZQOTICOSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-9,22H,1H3,(H,18,19)/b21-20+.
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide?
N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide has a molecular weight of 373.21 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethylimino]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 56973529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).