2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride

C14H15Cl2N5 — CID 153286643

IUPAC2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc2nc(-c3ncccc3C)[nH]c2c1
InChIInChI=1S/C14H13N5.2ClH/c1-8-3-2-6-17-12(8)14-18-10-5-4-9(13(15)16)7-11(10)19-14;;/h2-7H,1H3,(H3,15,16)(H,18,19);2*1H
InChIKeyVTSFLZMQRCXNGZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.06
Rot. Bonds2

About 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride

2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride (PubChem CID 153286643) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
PubChem CID153286643
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc2nc(-c3ncccc3C)[nH]c2c1
InChIInChI=1S/C14H13N5.2ClH/c1-8-3-2-6-17-12(8)14-18-10-5-4-9(13(15)16)7-11(10)19-14;;/h2-7H,1H3,(H3,15,16)(H,18,19);2*1H
InChIKeyVTSFLZMQRCXNGZ-UHFFFAOYSA-N
XLogP3.06
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
CID 153286644
2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
CID 135501618
2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 22125539
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
CID 22125515
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
CID 66602187
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 137314301
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride (CID 153286643) is 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc2nc(-c3ncccc3C)[nH]c2c1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride?
The InChIKey is VTSFLZMQRCXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5.2ClH/c1-8-3-2-6-17-12(8)14-18-10-5-4-9(13(15)16)7-11(10)19-14;;/h2-7H,1H3,(H3,15,16)(H,18,19);2*1H.
What are the key properties of 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride?
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride has a molecular weight of 324.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride is sourced from PubChem (CID 153286643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).