5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one

C18H15N7O2S — CID 142621246

IUPAC5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3cc(C(O)c4c(C5CC5)sc5cncn45)nn3)cc2[nH]1
InChIInChI=1S/C18H15N7O2S/c26-16(15-17(9-1-2-9)28-14-6-19-8-24(14)15)13-7-25(23-22-13)10-3-4-11-12(5-10)21-18(27)20-11/h3-9,16,26H,1-2H2,(H2,20,21,27)
InChIKeyVZTWLVYINYXWLU-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.11
Rot. Bonds4

About 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 142621246) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID142621246
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC Name5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3cc(C(O)c4c(C5CC5)sc5cncn45)nn3)cc2[nH]1
InChIInChI=1S/C18H15N7O2S/c26-16(15-17(9-1-2-9)28-14-6-19-8-24(14)15)13-7-25(23-22-13)10-3-4-11-12(5-10)21-18(27)20-11/h3-9,16,26H,1-2H2,(H2,20,21,27)
InChIKeyVZTWLVYINYXWLU-UHFFFAOYSA-N
XLogP2.11
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 142621246) is 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-n3cc(C(O)c4c(C5CC5)sc5cncn45)nn3)cc2[nH]1.
What is the InChIKey of 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VZTWLVYINYXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S/c26-16(15-17(9-1-2-9)28-14-6-19-8-24(14)15)13-7-25(23-22-13)10-3-4-11-12(5-10)21-18(27)20-11/h3-9,16,26H,1-2H2,(H2,20,21,27).
What are the key properties of 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 393.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 142621246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).