5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C20H23N3O3 — CID 70422032

IUPAC5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1ccc(C2Nc3cc4c(cc3N2C)N(CCO)C(=O)C4C)cc1
InChIInChI=1S/C20H23N3O3/c1-12-15-10-16-18(11-17(15)23(8-9-24)20(12)25)22(2)19(21-16)13-4-6-14(26-3)7-5-13/h4-7,10-12,19,21,24H,8-9H2,1-3H3
InChIKeyLFABKXSZPPDFBG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.70
Rot. Bonds4

About 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70422032) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70422032
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1ccc(C2Nc3cc4c(cc3N2C)N(CCO)C(=O)C4C)cc1
InChIInChI=1S/C20H23N3O3/c1-12-15-10-16-18(11-17(15)23(8-9-24)20(12)25)22(2)19(21-16)13-4-6-14(26-3)7-5-13/h4-7,10-12,19,21,24H,8-9H2,1-3H3
InChIKeyLFABKXSZPPDFBG-UHFFFAOYSA-N
XLogP2.70
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70422032) is 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is COc1ccc(C2Nc3cc4c(cc3N2C)N(CCO)C(=O)C4C)cc1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is LFABKXSZPPDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-15-10-16-18(11-17(15)23(8-9-24)20(12)25)22(2)19(21-16)13-4-6-14(26-3)7-5-13/h4-7,10-12,19,21,24H,8-9H2,1-3H3.
What are the key properties of 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 353.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70422032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).