2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine

C26H20N6 — CID 3091495

IUPAC2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H20N6/c27-19-9-11-21-23(13-19)31-25(29-21)17-5-1-15(2-6-17)16-3-7-18(8-4-16)26-30-22-12-10-20(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32)
InChIKeyDDMIICDGIGNOCS-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.60
Rot. Bonds3

About 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine

2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine (PubChem CID 3091495) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
PubChem CID3091495
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H20N6/c27-19-9-11-21-23(13-19)31-25(29-21)17-5-1-15(2-6-17)16-3-7-18(8-4-16)26-30-22-12-10-20(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32)
InChIKeyDDMIICDGIGNOCS-UHFFFAOYSA-N
XLogP5.60
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
3-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 24707129
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine (CID 3091495) is 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine?
The InChIKey is DDMIICDGIGNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c27-19-9-11-21-23(13-19)31-25(29-21)17-5-1-15(2-6-17)16-3-7-18(8-4-16)26-30-22-12-10-20(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32).
What are the key properties of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine?
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine has a molecular weight of 416.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 3091495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).