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

C22H23N3O2 — CID 59300921

IUPAC5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC2CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2)16-10-17-18(11-19(16)25(21(22)26)12-13-4-5-13)24-20(23-17)14-6-8-15(27-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyZKGDCBSXBHIQQM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.27
Rot. Bonds4

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

5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 59300921) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID59300921
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCOc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC2CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2)16-10-17-18(11-19(16)25(21(22)26)12-13-4-5-13)24-20(23-17)14-6-8-15(27-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyZKGDCBSXBHIQQM-UHFFFAOYSA-N
XLogP4.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 59300921) is 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is COc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4CC2CC2)cc1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZKGDCBSXBHIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2)16-10-17-18(11-19(16)25(21(22)26)12-13-4-5-13)24-20(23-17)14-6-8-15(27-3)9-7-14/h6-11,13H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one?
5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 361.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 59300921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).