2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride

C12H13Cl3N4 — CID 118989540

IUPAC2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
SMILESCl.Cl.Cl.Nc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C12H10N4.3ClH/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;;;/h1-7H,13H2,(H,15,16);3*1H
InChIKeyMNGPFAHOUUICJW-UHFFFAOYSA-N
MW319.62 g/mol
LogP3.47
Rot. Bonds1

About 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride

2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride (PubChem CID 118989540) has the molecular formula C12H13Cl3N4 and a molecular weight of 319.62 g/mol. Its IUPAC name is 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride.

Molecular Properties

Compound Name2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
PubChem CID118989540
Molecular FormulaC12H13Cl3N4
Molecular Weight319.62 g/mol
Exact Mass318.02
IUPAC Name2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
SMILESCl.Cl.Cl.Nc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C12H10N4.3ClH/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;;;/h1-7H,13H2,(H,15,16);3*1H
InChIKeyMNGPFAHOUUICJW-UHFFFAOYSA-N
XLogP3.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.62
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
CID 86766119
2-quinolin-5-yl-3H-benzimidazol-5-amine
CID 62874194
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride?
The IUPAC name of 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride (CID 118989540) is 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride.
What is the SMILES notation for 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride?
The canonical SMILES for 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride is Cl.Cl.Cl.Nc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride?
The InChIKey is MNGPFAHOUUICJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4.3ClH/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10;;;/h1-7H,13H2,(H,15,16);3*1H.
What are the key properties of 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride?
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride has a molecular weight of 319.62 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride is sourced from PubChem (CID 118989540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).