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

C16H13BrN4O2 — CID 135642239

IUPACN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESC/C(=N\NC(=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/h2-8,22H,1H3,(H,18,19)(H,21,23)/b20-9+
InChIKeyQYPYMNJXDLGLRD-AWQFTUOYSA-N
MW373.21 g/mol
LogP3.18
Rot. Bonds3

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

N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide (PubChem CID 135642239) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
PubChem CID135642239
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide
SMILESC/C(=N\NC(=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/h2-8,22H,1H3,(H,18,19)(H,21,23)/b20-9+
InChIKeyQYPYMNJXDLGLRD-AWQFTUOYSA-N
XLogP3.18
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide (CID 135642239) is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide is C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
The InChIKey is QYPYMNJXDLGLRD-AWQFTUOYSA-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/h2-8,22H,1H3,(H,18,19)(H,21,23)/b20-9+.
What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide?
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide has a molecular weight of 373.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 135642239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).