4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one

C22H24N4O2 — CID 138752636

IUPAC4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCCn1cnc2cc(OCC3CCC3)c(C3=CN(C)C(=O)C4=NC=CC34)cc21
InChIInChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-15H,3-6,12H2,1-2H3
InChIKeyJGGLYLFFOGBCGR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.63
Rot. Bonds5

About 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one

4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 138752636) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
PubChem CID138752636
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one
SMILESCCn1cnc2cc(OCC3CCC3)c(C3=CN(C)C(=O)C4=NC=CC34)cc21
InChIInChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-15H,3-6,12H2,1-2H3
InChIKeyJGGLYLFFOGBCGR-UHFFFAOYSA-N
XLogP3.63
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one (CID 138752636) is 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one is CCn1cnc2cc(OCC3CCC3)c(C3=CN(C)C(=O)C4=NC=CC34)cc21.
What is the InChIKey of 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JGGLYLFFOGBCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-15H,3-6,12H2,1-2H3.
What are the key properties of 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one?
4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 376.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclobutylmethoxy)-3-ethylbenzimidazol-5-yl]-6-methyl-3aH-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 138752636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).