2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide

C15H13N5O — CID 764281

IUPAC2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)NN=Cc1cccnc1
InChIInChI=1S/C15H13N5O/c21-15(20-17-10-11-4-3-7-16-9-11)8-14-18-12-5-1-2-6-13(12)19-14/h1-7,9-10H,8H2,(H,18,19)(H,20,21)
InChIKeyPCWYNXHBEKDENF-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.65
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide

2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide (PubChem CID 764281) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
PubChem CID764281
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)NN=Cc1cccnc1
InChIInChI=1S/C15H13N5O/c21-15(20-17-10-11-4-3-7-16-9-11)8-14-18-12-5-1-2-6-13(12)19-14/h1-7,9-10H,8H2,(H,18,19)(H,20,21)
InChIKeyPCWYNXHBEKDENF-UHFFFAOYSA-N
XLogP1.65
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
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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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide;hydrochloride
CID 141213994
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 5339530
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
CID 742331
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]pyridine-3-carboxamide
CID 136919029

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide (CID 764281) is 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide is O=C(Cc1nc2ccccc2[nH]1)NN=Cc1cccnc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
The InChIKey is PCWYNXHBEKDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-15(20-17-10-11-4-3-7-16-9-11)8-14-18-12-5-1-2-6-13(12)19-14/h1-7,9-10H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide?
2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 764281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).