5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C18H21N3O2S — CID 70421969

IUPAC5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccsc1)N3
InChIInChI=1S/C18H21N3O2S/c1-18(2)12-8-13-14(20-16(19-13)11-4-7-24-10-11)9-15(12)21(17(18)22)5-6-23-3/h4,7-10,16,19-20H,5-6H2,1-3H3
InChIKeyYMQXNHCBBFSJGP-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.55
Rot. Bonds4

About 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70421969) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70421969
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccsc1)N3
InChIInChI=1S/C18H21N3O2S/c1-18(2)12-8-13-14(20-16(19-13)11-4-7-24-10-11)9-15(12)21(17(18)22)5-6-23-3/h4,7-10,16,19-20H,5-6H2,1-3H3
InChIKeyYMQXNHCBBFSJGP-UHFFFAOYSA-N
XLogP3.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70421969) is 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is COCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccsc1)N3.
What is the InChIKey of 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is YMQXNHCBBFSJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2)12-8-13-14(20-16(19-13)11-4-7-24-10-11)9-15(12)21(17(18)22)5-6-23-3/h4,7-10,16,19-20H,5-6H2,1-3H3.
What are the key properties of 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 343.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70421969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).