4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole

C15H17N3S — CID 123159437

IUPAC4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H17N3S/c1-15(2,3)8-13-16-12(9-19-13)14-17-10-6-4-5-7-11(10)18-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyQYPKTJXCZGVMML-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.28
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole

4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 123159437) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID123159437
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H17N3S/c1-15(2,3)8-13-16-12(9-19-13)14-17-10-6-4-5-7-11(10)18-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyQYPKTJXCZGVMML-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556
3-[[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methyl]-4-(2-phenylethyl)phenol
CID 143316305
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 142043040
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380670
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 157020411

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole (CID 123159437) is 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1nc(-c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is QYPKTJXCZGVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-15(2,3)8-13-16-12(9-19-13)14-17-10-6-4-5-7-11(10)18-14/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole?
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 271.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 123159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).