4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine

C20H16N6 — CID 59071986

IUPAC4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
SMILESNc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1N
InChIInChI=1S/C20H16N6/c21-13-7-5-11(9-14(13)22)19-25-17-8-6-12(10-18(17)26-19)20-23-15-3-1-2-4-16(15)24-20/h1-10H,21-22H2,(H,23,24)(H,25,26)
InChIKeyPVLCCKGNKYNZPJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.94
Rot. Bonds2

About 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine

4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine (PubChem CID 59071986) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
PubChem CID59071986
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
SMILESNc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1N
InChIInChI=1S/C20H16N6/c21-13-7-5-11(9-14(13)22)19-25-17-8-6-12(10-18(17)26-19)20-23-15-3-1-2-4-16(15)24-20/h1-10H,21-22H2,(H,23,24)(H,25,26)
InChIKeyPVLCCKGNKYNZPJ-UHFFFAOYSA-N
XLogP3.94
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.94
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

3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
phosphanyl 2-(3,4-diaminophenyl)-3H-benzimidazole-5-carboxylate
CID 163541458
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
CID 82144258
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine;hydrochloride
CID 164713900
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
5-(1H-benzimidazol-2-yl)-2-(2-methylpropoxy)aniline
CID 82144256

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine?
The IUPAC name of 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine (CID 59071986) is 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine?
The canonical SMILES for 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine is Nc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1N.
What is the InChIKey of 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine?
The InChIKey is PVLCCKGNKYNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-13-7-5-11(9-14(13)22)19-25-17-8-6-12(10-18(17)26-19)20-23-15-3-1-2-4-16(15)24-20/h1-10H,21-22H2,(H,23,24)(H,25,26).
What are the key properties of 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine?
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine has a molecular weight of 340.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 59071986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).