N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide

C16H11N5O — CID 110743788

IUPACN-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11N5O/c22-16(10-1-3-13-14(7-10)20-9-19-13)21-11-2-4-12-15(8-11)18-6-5-17-12/h1-9H,(H,19,20)(H,21,22)
InChIKeyZUSNFDXKFXYSKX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.76
Rot. Bonds2

About N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide

N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110743788) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
PubChem CID110743788
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC NameN-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11N5O/c22-16(10-1-3-13-14(7-10)20-9-19-13)21-11-2-4-12-15(8-11)18-6-5-17-12/h1-9H,(H,19,20)(H,21,22)
InChIKeyZUSNFDXKFXYSKX-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
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N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67113871

Frequently Asked Questions

What is the IUPAC name of N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide (CID 110743788) is N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2nccnc2c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZUSNFDXKFXYSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16(10-1-3-13-14(7-10)20-9-19-13)21-11-2-4-12-15(8-11)18-6-5-17-12/h1-9H,(H,19,20)(H,21,22).
What are the key properties of N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide?
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110743788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).