benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine

C18H18N6 — CID 159111206

IUPACbenzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1cccc(-c2nc3ccccc3[nH]2)n1.Nc1ccccc1N
InChIInChI=1S/C12H10N4.C6H8N2/c13-11-7-3-6-10(14-11)12-15-8-4-1-2-5-9(8)16-12;7-5-3-1-2-4-6(5)8/h1-7H,(H2,13,14)(H,15,16);1-4H,7-8H2
InChIKeyKENAPWKSWMICME-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.06
Rot. Bonds1

About benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine

benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 159111206) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Namebenzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID159111206
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Namebenzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1cccc(-c2nc3ccccc3[nH]2)n1.Nc1ccccc1N
InChIInChI=1S/C12H10N4.C6H8N2/c13-11-7-3-6-10(14-11)12-15-8-4-1-2-5-9(8)16-12;7-5-3-1-2-4-6(5)8/h1-7H,(H2,13,14)(H,15,16);1-4H,7-8H2
InChIKeyKENAPWKSWMICME-UHFFFAOYSA-N
XLogP3.06
TPSA119.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 670851
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine (CID 159111206) is benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine is Nc1cccc(-c2nc3ccccc3[nH]2)n1.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is KENAPWKSWMICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4.C6H8N2/c13-11-7-3-6-10(14-11)12-15-8-4-1-2-5-9(8)16-12;7-5-3-1-2-4-6(5)8/h1-7H,(H2,13,14)(H,15,16);1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine?
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 159111206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).