2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C19H15N3O2S — CID 51032680

IUPAC2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H15N3O2S/c1-12-16(19(23)24)25-18(20-12)17-21-14-9-5-6-10-15(14)22(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyXYBIQSDPXYWLPJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.21
Rot. Bonds4

About 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 51032680) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID51032680
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C19H15N3O2S/c1-12-16(19(23)24)25-18(20-12)17-21-14-9-5-6-10-15(14)22(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyXYBIQSDPXYWLPJ-UHFFFAOYSA-N
XLogP4.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylbenzimidazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50994502
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 50994503
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
Ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032805
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 51032809
2-(1-benzylbenzimidazol-2-yl)-N-cyclohexyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51032810
2-[2-[(1-Methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 71579827
3-cyclohexyl-2-phenyl-3H-thieno[2,3-d]imidazole-5-carboxylic acid
CID 11587905
1-cyclohexyl-2-phenyl-1H-thieno[3,2-d]imidazole-5-carboxylic acid
CID 11595036
Ethyl 4-methyl-2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 51032684
Ethyl 4-methyl-2-(1-propan-2-ylbenzimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 51032804
[2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 51032953

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 51032680) is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XYBIQSDPXYWLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-16(19(23)24)25-18(20-12)17-21-14-9-5-6-10-15(14)22(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 349.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 51032680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).