1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one

C25H25N3O2S — CID 33169449

IUPAC1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2S/c1-2-26-20-10-6-7-11-21(20)27(25(26)30)16-13-23(29)28-15-12-22-19(14-17-31-22)24(28)18-8-4-3-5-9-18/h3-11,14,17,24H,2,12-13,15-16H2,1H3/t24-/m1/s1
InChIKeyGAMNRJXNPATYGP-XMMPIXPASA-N
MW431.56 g/mol
LogP4.45
Rot. Bonds5

About 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one

1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one (PubChem CID 33169449) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one
PubChem CID33169449
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2S/c1-2-26-20-10-6-7-11-21(20)27(25(26)30)16-13-23(29)28-15-12-22-19(14-17-31-22)24(28)18-8-4-3-5-9-18/h3-11,14,17,24H,2,12-13,15-16H2,1H3/t24-/m1/s1
InChIKeyGAMNRJXNPATYGP-XMMPIXPASA-N
XLogP4.45
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one with MolForge

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Related Compounds

2-[3-oxo-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]isoindole-1,3-dione
CID 17467414
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile
CID 9245848
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one
CID 17492440
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
2-[benzyl(methyl)amino]-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47052994
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 67357373
2-(3-ethoxypropylamino)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42773661
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one (CID 33169449) is 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one is CCn1c(=O)n(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one?
The InChIKey is GAMNRJXNPATYGP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-26-20-10-6-7-11-21(20)27(25(26)30)16-13-23(29)28-15-12-22-19(14-17-31-22)24(28)18-8-4-3-5-9-18/h3-11,14,17,24H,2,12-13,15-16H2,1H3/t24-/m1/s1.
What are the key properties of 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one?
1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one has a molecular weight of 431.56 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-oxo-3-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]benzimidazol-2-one is sourced from PubChem (CID 33169449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).