6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol

C17H20N8O2 — CID 69256280

IUPAC6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol
SMILESCCNn1cnc2cc(O)c(N(N)c3cc4c(cc3O)ncn4NC)cc21
InChIInChI=1S/C17H20N8O2/c1-3-22-24-9-21-11-5-17(27)15(7-13(11)24)25(18)14-6-12-10(4-16(14)26)20-8-23(12)19-2/h4-9,19,22,26-27H,3,18H2,1-2H3
InChIKeyYVSLNUMJAQNRMF-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.55
Rot. Bonds5

About 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol

6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol (PubChem CID 69256280) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol.

Molecular Properties

Compound Name6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol
PubChem CID69256280
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol
SMILESCCNn1cnc2cc(O)c(N(N)c3cc4c(cc3O)ncn4NC)cc21
InChIInChI=1S/C17H20N8O2/c1-3-22-24-9-21-11-5-17(27)15(7-13(11)24)25(18)14-6-12-10(4-16(14)26)20-8-23(12)19-2/h4-9,19,22,26-27H,3,18H2,1-2H3
InChIKeyYVSLNUMJAQNRMF-UHFFFAOYSA-N
XLogP1.55
TPSA129.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol?
The IUPAC name of 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol (CID 69256280) is 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol.
What is the SMILES notation for 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol?
The canonical SMILES for 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol is CCNn1cnc2cc(O)c(N(N)c3cc4c(cc3O)ncn4NC)cc21.
What is the InChIKey of 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol?
The InChIKey is YVSLNUMJAQNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-3-22-24-9-21-11-5-17(27)15(7-13(11)24)25(18)14-6-12-10(4-16(14)26)20-8-23(12)19-2/h4-9,19,22,26-27H,3,18H2,1-2H3.
What are the key properties of 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol?
6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol has a molecular weight of 368.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol is sourced from PubChem (CID 69256280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).