1H-Benzimidazole-2-carboxamide, N-2-pyridinyl-

HCID 3087291

Notes Reactions

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Basic information

CAS: 113826-88-3
Standard SMILES: O=C(Nc1ccccn1)c1nc2ccccc2[nH]1
InChIKey: VXYHDYBFIAFFQZ-UHFFFAOYSA-N
Molecular formula: C13H10N4O
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.08546094

Names & identifiers

Preferred name: 1H-Benzimidazole-2-carboxamide, N-2-pyridinyl-
IUPAC: N-pyridin-2-yl-1H-benzimidazole-2-carboxamide

Names & synonyms

N-(2-Pyridyl)benzimidazole-2-carboxamide1H-Benzimidazole-2-carboxamide, N-2-pyridinyl-113826-88-3N-2-Pyridinyl-1H-benzimidazole-2-carboxamideDTXSID60150575RefChem:237588DTXCID7073066SCHEMBL9669129VXYHDYBFIAFFQZ-UHFFFAOYSA-NN-(Pyridin-2-yl)-1H-1,3-benzimidazole-2-carboxamide

Database identifiers

CAS: 113826-88-3
PubChem CID: 3087291
DTXSID: DTXSID60150575

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 70.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 309

Related reactions

7 records

New reaction record

HRID 163500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 300789As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 476894As reactantuspto-grants-1989_12

HRID 476897As reactantuspto-grants-1989_12

HRID 476899As reactantuspto-grants-1989_12

HRID 935610As productAs reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2129405As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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