2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

C18H19N5OS — CID 135526527

IUPAC2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CSC5)nc3cc21
InChIInChI=1S/C18H19N5OS/c1-4-23-14-6-12-11(5-10(14)18(2,3)17(23)24)19-16(20-12)15-9-7-25-8-13(9)21-22-15/h5-6H,4,7-8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyZCEWHDNZJDCVPE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.34
Rot. Bonds2

About 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one

2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 135526527) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID135526527
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CSC5)nc3cc21
InChIInChI=1S/C18H19N5OS/c1-4-23-14-6-12-11(5-10(14)18(2,3)17(23)24)19-16(20-12)15-9-7-25-8-13(9)21-22-15/h5-6H,4,7-8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyZCEWHDNZJDCVPE-UHFFFAOYSA-N
XLogP3.34
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 135526527) is 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5c4CSC5)nc3cc21.
What is the InChIKey of 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZCEWHDNZJDCVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-4-23-14-6-12-11(5-10(14)18(2,3)17(23)24)19-16(20-12)15-9-7-25-8-13(9)21-22-15/h5-6H,4,7-8H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 353.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydro-1H-thieno[3,4-d]pyrazol-3-yl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 135526527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).