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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Related Compounds

Thiabendazole
CID 5430
1-(2',6'-difluorophenyl)-1H,3H-thiazolo(3,4-a)benzimidazole
CID 122665
5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
Pifithrin-Beta
CID 443278

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).