[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

C18H14N4O2S — CID 170725094

IUPAC[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2ccccc2s1
InChIInChI=1S/C18H14N4O2S/c23-18(13-8-19-10-24-13)22-6-5-12-16(21-9-20-12)17(22)15-7-11-3-1-2-4-14(11)25-15/h1-4,7-10,17H,5-6H2,(H,20,21)
InChIKeyJUFJSHVZBZJICT-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.40
Rot. Bonds2

About [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 170725094) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID170725094
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2ccccc2s1
InChIInChI=1S/C18H14N4O2S/c23-18(13-8-19-10-24-13)22-6-5-12-16(21-9-20-12)17(22)15-7-11-3-1-2-4-14(11)25-15/h1-4,7-10,17H,5-6H2,(H,20,21)
InChIKeyJUFJSHVZBZJICT-UHFFFAOYSA-N
XLogP3.40
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169163741
[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169164360
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170333548
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone
CID 169167210
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 169167470
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 169167559
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
CID 169167288
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
CID 169167637
[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169167026

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (CID 170725094) is [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2ccccc2s1.
What is the InChIKey of [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is JUFJSHVZBZJICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-18(13-8-19-10-24-13)22-6-5-12-16(21-9-20-12)17(22)15-7-11-3-1-2-4-14(11)25-15/h1-4,7-10,17H,5-6H2,(H,20,21).
What are the key properties of [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 170725094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).