2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol

C22H18N4O2 — CID 159684415

IUPAC2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol
SMILESCc1ccc2c(c1)N=C(c1cc(O)c(-c3nc4ccc(N)cc4[nH]3)cc1O)C2
InChIInChI=1S/C22H18N4O2/c1-11-2-3-12-7-18(24-17(12)6-11)14-9-21(28)15(10-20(14)27)22-25-16-5-4-13(23)8-19(16)26-22/h2-6,8-10,27-28H,7,23H2,1H3,(H,25,26)
InChIKeyDXTKSNUJEQGIKA-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.21
Rot. Bonds2

About 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol

2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol (PubChem CID 159684415) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol
PubChem CID159684415
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol
SMILESCc1ccc2c(c1)N=C(c1cc(O)c(-c3nc4ccc(N)cc4[nH]3)cc1O)C2
InChIInChI=1S/C22H18N4O2/c1-11-2-3-12-7-18(24-17(12)6-11)14-9-21(28)15(10-20(14)27)22-25-16-5-4-13(23)8-19(16)26-22/h2-6,8-10,27-28H,7,23H2,1H3,(H,25,26)
InChIKeyDXTKSNUJEQGIKA-UHFFFAOYSA-N
XLogP4.21
TPSA107.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
5-methyl-3-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 55250119
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
4-(3,4-diaminophenyl)benzene-1,2-diamine;4-nitrobenzoic acid;2-(4-nitrophenyl)-6-[2-(4-nitrophenyl)-3H-indol-6-yl]-1H-benzimidazole
CID 159007170
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol (CID 159684415) is 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol is Cc1ccc2c(c1)N=C(c1cc(O)c(-c3nc4ccc(N)cc4[nH]3)cc1O)C2.
What is the InChIKey of 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol?
The InChIKey is DXTKSNUJEQGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-11-2-3-12-7-18(24-17(12)6-11)14-9-21(28)15(10-20(14)27)22-25-16-5-4-13(23)8-19(16)26-22/h2-6,8-10,27-28H,7,23H2,1H3,(H,25,26).
What are the key properties of 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol?
2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol has a molecular weight of 370.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1H-benzimidazol-2-yl)-5-(6-methyl-3H-indol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 159684415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).