2-(1H-benzimidazol-2-yl)aniline;dihydrochloride

C13H13Cl2N3 — CID 133057606

IUPAC2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3.2ClH/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;;/h1-8H,14H2,(H,15,16);2*1H
InChIKeyKOSCYKSQBHKCQJ-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.66
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride

2-(1H-benzimidazol-2-yl)aniline;dihydrochloride (PubChem CID 133057606) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
PubChem CID133057606
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N3.2ClH/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;;/h1-8H,14H2,(H,15,16);2*1H
InChIKeyKOSCYKSQBHKCQJ-UHFFFAOYSA-N
XLogP3.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride 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

bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1H-benzimidazol-2-yl)-5-(1,3-thiazol-2-yl)aniline
CID 16731587
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride?
The IUPAC name of 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride (CID 133057606) is 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride is Cl.Cl.Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride?
The InChIKey is KOSCYKSQBHKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.2ClH/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13;;/h1-8H,14H2,(H,15,16);2*1H.
What are the key properties of 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride?
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)aniline;dihydrochloride is sourced from PubChem (CID 133057606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).