(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone

C12H14N2OS — CID 79807838

IUPAC(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cscc1C
InChIInChI=1S/C12H14N2OS/c1-3-5-14-6-4-13-12(14)11(15)10-8-16-7-9(10)2/h4,6-8H,3,5H2,1-2H3
InChIKeyGCFQNCXASQPMFV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.89
Rot. Bonds4

About (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone

(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone (PubChem CID 79807838) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
PubChem CID79807838
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cscc1C
InChIInChI=1S/C12H14N2OS/c1-3-5-14-6-4-13-12(14)11(15)10-8-16-7-9(10)2/h4,6-8H,3,5H2,1-2H3
InChIKeyGCFQNCXASQPMFV-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(1-propylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124601
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 107123726
(E)-1-(1-propylimidazol-2-yl)pent-2-en-1-one
CID 103454256
(E)-2-ethyl-1-(1-propylimidazol-2-yl)but-2-en-1-one
CID 103447433

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone (CID 79807838) is (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1cscc1C.
What is the InChIKey of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is GCFQNCXASQPMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-5-14-6-4-13-12(14)11(15)10-8-16-7-9(10)2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone?
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 234.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 79807838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).