5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

C19H17N9O3 — CID 67016168

IUPAC5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C19H17N9O3/c1-2-31-19-27-15(20-9-3-5-11-13(7-9)24-17(29)22-11)26-16(28-19)21-10-4-6-12-14(8-10)25-18(30)23-12/h3-8H,2H2,1H3,(H2,22,24,29)(H2,23,25,30)(H2,20,21,26,27,28)
InChIKeyIEDSOFJUVRRXSK-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.10
Rot. Bonds6

About 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 67016168) has the molecular formula C19H17N9O3 and a molecular weight of 419.41 g/mol. Its IUPAC name is 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID67016168
Molecular FormulaC19H17N9O3
Molecular Weight419.41 g/mol
Exact Mass419.15
IUPAC Name5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C19H17N9O3/c1-2-31-19-27-15(20-9-3-5-11-13(7-9)24-17(29)22-11)26-16(28-19)21-10-4-6-12-14(8-10)25-18(30)23-12/h3-8H,2H2,1H3,(H2,22,24,29)(H2,23,25,30)(H2,20,21,26,27,28)
InChIKeyIEDSOFJUVRRXSK-UHFFFAOYSA-N
XLogP2.10
TPSA169.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 52.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 67016168) is 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is CCOc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IEDSOFJUVRRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O3/c1-2-31-19-27-15(20-9-3-5-11-13(7-9)24-17(29)22-11)26-16(28-19)21-10-4-6-12-14(8-10)25-18(30)23-12/h3-8H,2H2,1H3,(H2,22,24,29)(H2,23,25,30)(H2,20,21,26,27,28).
What are the key properties of 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 419.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-ethoxy-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 67016168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).