4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole

C17H13N3S — CID 11208551

IUPAC4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)10-20-16-9-5-4-8-14(16)19-17(20)15-11-21-12-18-15/h1-9,11-12H,10H2
InChIKeyRWZYJIHLVDIUBB-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.21
Rot. Bonds3

About 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole

4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole (PubChem CID 11208551) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
PubChem CID11208551
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)10-20-16-9-5-4-8-14(16)19-17(20)15-11-21-12-18-15/h1-9,11-12H,10H2
InChIKeyRWZYJIHLVDIUBB-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 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole (CID 11208551) is 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole is c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
The InChIKey is RWZYJIHLVDIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)10-20-16-9-5-4-8-14(16)19-17(20)15-11-21-12-18-15/h1-9,11-12H,10H2.
What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole?
4-(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 4-(1-benzylbenzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 11208551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).