5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

C18H15N3S — CID 656217

IUPAC5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCc1ccccc1Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C18H15N3S/c1-13-6-2-3-7-14(13)11-21-16-9-5-4-8-15(16)20-18(21)17-10-19-12-22-17/h2-10,12H,11H2,1H3
InChIKeyZBXKGWCRJZOIMC-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.52
Rot. Bonds3

About 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 656217) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID656217
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCc1ccccc1Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C18H15N3S/c1-13-6-2-3-7-14(13)11-21-16-9-5-4-8-15(16)20-18(21)17-10-19-12-22-17/h2-10,12H,11H2,1H3
InChIKeyZBXKGWCRJZOIMC-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
C.I. Basic Red 29
CID 93234
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
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
Dimethyl[2-({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-yl}amino)ethyl]amine
CID 20823982
N-ethyl-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 20824060
Pifithrin-Beta
CID 443278
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
n-Methylthiabendazole
CID 612049

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (CID 656217) is 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is Cc1ccccc1Cn1c(-c2cncs2)nc2ccccc21.
What is the InChIKey of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is ZBXKGWCRJZOIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-13-6-2-3-7-14(13)11-21-16-9-5-4-8-15(16)20-18(21)17-10-19-12-22-17/h2-10,12H,11H2,1H3.
What are the key properties of 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 305.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 656217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).