1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea

C17H18N4OS — CID 167763785

IUPAC1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
SMILESCc1cn2c(n1)CCC(NC(=O)Nc1csc3ccccc13)C2
InChIInChI=1S/C17H18N4OS/c1-11-8-21-9-12(6-7-16(21)18-11)19-17(22)20-14-10-23-15-5-3-2-4-13(14)15/h2-5,8,10,12H,6-7,9H2,1H3,(H2,19,20,22)
InChIKeyFKCMEKNTQNKFJE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.54
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea

1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea (PubChem CID 167763785) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
PubChem CID167763785
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
SMILESCc1cn2c(n1)CCC(NC(=O)Nc1csc3ccccc13)C2
InChIInChI=1S/C17H18N4OS/c1-11-8-21-9-12(6-7-16(21)18-11)19-17(22)20-14-10-23-15-5-3-2-4-13(14)15/h2-5,8,10,12H,6-7,9H2,1H3,(H2,19,20,22)
InChIKeyFKCMEKNTQNKFJE-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea (CID 167763785) is 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea is Cc1cn2c(n1)CCC(NC(=O)Nc1csc3ccccc13)C2.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The InChIKey is FKCMEKNTQNKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-8-21-9-12(6-7-16(21)18-11)19-17(22)20-14-10-23-15-5-3-2-4-13(14)15/h2-5,8,10,12H,6-7,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea has a molecular weight of 326.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea is sourced from PubChem (CID 167763785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).