1-butylthiochromeno[3,4-d]imidazol-4-one

C14H14N2OS — CID 5200578

IUPAC1-butylthiochromeno[3,4-d]imidazol-4-one
SMILESCCCCn1cnc2c(=O)sc3ccccc3c21
InChIInChI=1S/C14H14N2OS/c1-2-3-8-16-9-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-7,9H,2-3,8H2,1H3
InChIKeyKNWKZOFIQMXSCY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.41
Rot. Bonds3

About 1-butylthiochromeno[3,4-d]imidazol-4-one

1-butylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 5200578) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-butylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-butylthiochromeno[3,4-d]imidazol-4-one
PubChem CID5200578
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-butylthiochromeno[3,4-d]imidazol-4-one
SMILESCCCCn1cnc2c(=O)sc3ccccc3c21
InChIInChI=1S/C14H14N2OS/c1-2-3-8-16-9-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-7,9H,2-3,8H2,1H3
InChIKeyKNWKZOFIQMXSCY-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 1240549
1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 760926
2-Methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one
CID 5038582
thiochromeno[3,4-d]imidazol-4(1H)-one
CID 763247
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 2-(1-piperidinylmethyl)-
CID 58149
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-2-(1-piperidinylmethyl)-
CID 58150
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-
CID 58151
2-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 5196567
1-benzylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 768408
1-Phenyl-7-prop-2-enylimidazo[1,5-a]pyrazin-8-one
CID 53172199
1,2-Dimethylthiochromeno[3,4-d]imidazol-4-one
CID 3900762
2-Aminomethyl-4h-[1]-benzothiopyrano[3,4-d]-imidazol-4-one
CID 129869069

Frequently Asked Questions

What is the IUPAC name of 1-butylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-butylthiochromeno[3,4-d]imidazol-4-one (CID 5200578) is 1-butylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-butylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-butylthiochromeno[3,4-d]imidazol-4-one is CCCCn1cnc2c(=O)sc3ccccc3c21.
What is the InChIKey of 1-butylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is KNWKZOFIQMXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-3-8-16-9-15-12-13(16)10-6-4-5-7-11(10)18-14(12)17/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-butylthiochromeno[3,4-d]imidazol-4-one?
1-butylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 258.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 5200578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).