4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole

C11H7Cl2N3S — CID 82004287

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cs1
InChIInChI=1S/C11H7Cl2N3S/c1-5-14-10(4-17-5)11-15-8-2-6(12)7(13)3-9(8)16-11/h2-4H,1H3,(H,15,16)
InChIKeyMVDAUQJGPJQMQN-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.30
Rot. Bonds1

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole

4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole (PubChem CID 82004287) has the molecular formula C11H7Cl2N3S and a molecular weight of 284.17 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
PubChem CID82004287
Molecular FormulaC11H7Cl2N3S
Molecular Weight284.17 g/mol
Exact Mass282.97
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cs1
InChIInChI=1S/C11H7Cl2N3S/c1-5-14-10(4-17-5)11-15-8-2-6(12)7(13)3-9(8)16-11/h2-4H,1H3,(H,15,16)
InChIKeyMVDAUQJGPJQMQN-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole (CID 82004287) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cs1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is MVDAUQJGPJQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3S/c1-5-14-10(4-17-5)11-15-8-2-6(12)7(13)3-9(8)16-11/h2-4H,1H3,(H,15,16).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 284.17 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 82004287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).