5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride

C22H26Cl2N4O — CID 70423208

IUPAC5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(C4CCNc5ccccc54)nc3cc21.Cl.Cl
InChIInChI=1S/C22H24N4O.2ClH/c1-4-26-19-12-18-17(11-15(19)22(2,3)21(26)27)24-20(25-18)14-9-10-23-16-8-6-5-7-13(14)16;;/h5-8,11-12,14,23H,4,9-10H2,1-3H3,(H,24,25);2*1H
InChIKeyWROPAIQLBVUXID-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.00
Rot. Bonds2

About 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride

5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride (PubChem CID 70423208) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride
PubChem CID70423208
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(C4CCNc5ccccc54)nc3cc21.Cl.Cl
InChIInChI=1S/C22H24N4O.2ClH/c1-4-26-19-12-18-17(11-15(19)22(2,3)21(26)27)24-20(25-18)14-9-10-23-16-8-6-5-7-13(14)16;;/h5-8,11-12,14,23H,4,9-10H2,1-3H3,(H,24,25);2*1H
InChIKeyWROPAIQLBVUXID-UHFFFAOYSA-N
XLogP5.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride?
The IUPAC name of 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride (CID 70423208) is 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride.
What is the SMILES notation for 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride?
The canonical SMILES for 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride is CCN1C(=O)C(C)(C)c2cc3[nH]c(C4CCNc5ccccc54)nc3cc21.Cl.Cl.
What is the InChIKey of 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride?
The InChIKey is WROPAIQLBVUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.2ClH/c1-4-26-19-12-18-17(11-15(19)22(2,3)21(26)27)24-20(25-18)14-9-10-23-16-8-6-5-7-13(14)16;;/h5-8,11-12,14,23H,4,9-10H2,1-3H3,(H,24,25);2*1H.
What are the key properties of 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride?
5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride has a molecular weight of 433.38 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,7-dimethyl-2-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one;dihydrochloride is sourced from PubChem (CID 70423208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).