4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C23H20N6 — CID 2999704

IUPAC4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(C3N=C(N)Nc4nc5ccccc5n43)ccc21
InChIInChI=1S/C23H20N6/c1-2-28-18-9-5-3-7-15(18)16-13-14(11-12-19(16)28)21-26-22(24)27-23-25-17-8-4-6-10-20(17)29(21)23/h3-13,21H,2H2,1H3,(H3,24,25,26,27)
InChIKeyAWIDHKDTBUAXSO-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.45
Rot. Bonds2

About 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 2999704) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID2999704
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(C3N=C(N)Nc4nc5ccccc5n43)ccc21
InChIInChI=1S/C23H20N6/c1-2-28-18-9-5-3-7-15(18)16-13-14(11-12-19(16)28)21-26-22(24)27-23-25-17-8-4-6-10-20(17)29(21)23/h3-13,21H,2H2,1H3,(H3,24,25,26,27)
InChIKeyAWIDHKDTBUAXSO-UHFFFAOYSA-N
XLogP4.45
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine 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 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 2999704) is 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is CCn1c2ccccc2c2cc(C3N=C(N)Nc4nc5ccccc5n43)ccc21.
What is the InChIKey of 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is AWIDHKDTBUAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-2-28-18-9-5-3-7-15(18)16-13-14(11-12-19(16)28)21-26-22(24)27-23-25-17-8-4-6-10-20(17)29(21)23/h3-13,21H,2H2,1H3,(H3,24,25,26,27).
What are the key properties of 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 380.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 2999704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).