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

C13H13N3S — CID 78971489

IUPAC2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncc(Cn2c(C)nc3ccccc32)s1
InChIInChI=1S/C13H13N3S/c1-9-15-12-5-3-4-6-13(12)16(9)8-11-7-14-10(2)17-11/h3-7H,8H2,1-2H3
InChIKeyBGDHOJPBNGBNDR-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.16
Rot. Bonds2

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

2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole (PubChem CID 78971489) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
PubChem CID78971489
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncc(Cn2c(C)nc3ccccc32)s1
InChIInChI=1S/C13H13N3S/c1-9-15-12-5-3-4-6-13(12)16(9)8-11-7-14-10(2)17-11/h3-7H,8H2,1-2H3
InChIKeyBGDHOJPBNGBNDR-UHFFFAOYSA-N
XLogP3.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 112644464
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-2-carboxylic acid
CID 63019955
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 60980527
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole (CID 78971489) is 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole is Cc1ncc(Cn2c(C)nc3ccccc32)s1.
What is the InChIKey of 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is BGDHOJPBNGBNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-9-15-12-5-3-4-6-13(12)16(9)8-11-7-14-10(2)17-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole?
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 243.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 78971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).