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

C12H11N3S — CID 112644464

IUPAC5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc2ccccc2n1Cc1cncs1
InChIInChI=1S/C12H11N3S/c1-9-14-11-4-2-3-5-12(11)15(9)7-10-6-13-8-16-10/h2-6,8H,7H2,1H3
InChIKeyYEVGAGDOAMTZDW-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.85
Rot. Bonds2

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

5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole (PubChem CID 112644464) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
PubChem CID112644464
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc2ccccc2n1Cc1cncs1
InChIInChI=1S/C12H11N3S/c1-9-14-11-4-2-3-5-12(11)15(9)7-10-6-13-8-16-10/h2-6,8H,7H2,1H3
InChIKeyYEVGAGDOAMTZDW-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577924
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 112728287
1-(1,3-thiazol-5-ylmethyl)indole-2-carboxylic acid
CID 112641072
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112724026
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole (CID 112644464) is 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole is Cc1nc2ccccc2n1Cc1cncs1.
What is the InChIKey of 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is YEVGAGDOAMTZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-9-14-11-4-2-3-5-12(11)15(9)7-10-6-13-8-16-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 229.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).