N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide

C15H15N5 — CID 123441695

IUPACN,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
SMILESC/N=C(\NC)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H15N5/c1-16-14(17-2)10-6-7-11-13(9-10)20-15(19-11)12-5-3-4-8-18-12/h3-9H,1-2H3,(H,16,17)(H,19,20)
InChIKeyGKFYVBYGXFUXIP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.22
Rot. Bonds2

About N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide

N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide (PubChem CID 123441695) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
PubChem CID123441695
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
SMILESC/N=C(\NC)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H15N5/c1-16-14(17-2)10-6-7-11-13(9-10)20-15(19-11)12-5-3-4-8-18-12/h3-9H,1-2H3,(H,16,17)(H,19,20)
InChIKeyGKFYVBYGXFUXIP-UHFFFAOYSA-N
XLogP2.22
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168594981
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
CID 86766119
2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine
CID 71233783

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The IUPAC name of N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide (CID 123441695) is N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide is C/N=C(\NC)c1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The InChIKey is GKFYVBYGXFUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-16-14(17-2)10-6-7-11-13(9-10)20-15(19-11)12-5-3-4-8-18-12/h3-9H,1-2H3,(H,16,17)(H,19,20).
What are the key properties of N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 123441695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).