1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C28H24N4O4 — CID 66661670

IUPAC1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCn1c(=O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)c2ccccc21
InChIInChI=1S/C28H24N4O4/c1-30-22-4-2-3-5-23(22)32(26(30)35)19-8-6-18(7-9-19)27(11-12-27)25(34)31-15-13-28(17-31)21-10-14-29-16-20(21)24(33)36-28/h2-10,14,16H,11-13,15,17H2,1H3
InChIKeyBHTIQCKBTVHJTL-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.05
Rot. Bonds3

About 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661670) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661670
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCn1c(=O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)c2ccccc21
InChIInChI=1S/C28H24N4O4/c1-30-22-4-2-3-5-23(22)32(26(30)35)19-8-6-18(7-9-19)27(11-12-27)25(34)31-15-13-28(17-31)21-10-14-29-16-20(21)24(33)36-28/h2-10,14,16H,11-13,15,17H2,1H3
InChIKeyBHTIQCKBTVHJTL-UHFFFAOYSA-N
XLogP3.05
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-[1-[4-(benzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662286
1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662221
1'-[1-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662626
1'-[1-[4-(3-aminopyrazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662258
1'-[1-(4-cyclobutylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66991988
1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662614
(1R)-1'-[1-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662382
1'-[1-[4-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91351536
3-oxo-1'-[1-[4-[(sulfinoamino)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]
CID 118205758
1'-[1-(4-pyridin-4-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662397
1'-[1-[4-(oxan-4-yloxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661812
1'-[1-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662458

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661670) is 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is Cn1c(=O)n(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4cnccc45)CC3)cc2)c2ccccc21.
What is the InChIKey of 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is BHTIQCKBTVHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-30-22-4-2-3-5-23(22)32(26(30)35)19-8-6-18(7-9-19)27(11-12-27)25(34)31-15-13-28(17-31)21-10-14-29-16-20(21)24(33)36-28/h2-10,14,16H,11-13,15,17H2,1H3.
What are the key properties of 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 480.52 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).