5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole

C17H13N3S — CID 971190

IUPAC5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)11-20-15-9-5-4-8-14(15)19-17(20)16-10-18-12-21-16/h1-10,12H,11H2
InChIKeyJZXMGOWRAZLVND-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.21
Rot. Bonds3

About 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole

5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole (PubChem CID 971190) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
PubChem CID971190
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)11-20-15-9-5-4-8-14(15)19-17(20)16-10-18-12-21-16/h1-10,12H,11H2
InChIKeyJZXMGOWRAZLVND-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole (CID 971190) is 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole is c1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1.
What is the InChIKey of 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The InChIKey is JZXMGOWRAZLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)11-20-15-9-5-4-8-14(15)19-17(20)16-10-18-12-21-16/h1-10,12H,11H2.
What are the key properties of 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylbenzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 971190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).