2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide

C15H13N5O — CID 693866

IUPAC2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NN=Cc3ccccn3)cc2[nH]1
InChIInChI=1S/C15H13N5O/c1-10-18-13-6-5-11(8-14(13)19-10)15(21)20-17-9-12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyCHXHRZYGQAAUPH-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide

2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide (PubChem CID 693866) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
PubChem CID693866
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NN=Cc3ccccn3)cc2[nH]1
InChIInChI=1S/C15H13N5O/c1-10-18-13-6-5-11(8-14(13)19-10)15(21)20-17-9-12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyCHXHRZYGQAAUPH-UHFFFAOYSA-N
XLogP2.03
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.03
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-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
CID 5405538
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methyl-3H-benzimidazole-5-carboxamide
CID 3916277
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
6-methyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 110512014
2-benzyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526709
2-benzyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526697
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526607
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]benzamide
CID 172918427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide (CID 693866) is 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NN=Cc3ccccn3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide?
The InChIKey is CHXHRZYGQAAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-18-13-6-5-11(8-14(13)19-10)15(21)20-17-9-12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide?
2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).