2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole

C17H17ClN2 — CID 60646324

IUPAC2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H17ClN2/c1-17(2,3)12-6-4-11(5-7-12)16-19-14-9-8-13(18)10-15(14)20-16/h4-10H,1-3H3,(H,19,20)
InChIKeyNKXZAGOKTANLBO-UHFFFAOYSA-N
MW284.79 g/mol
LogP5.18
Rot. Bonds1

About 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole

2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole (PubChem CID 60646324) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
PubChem CID60646324
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C17H17ClN2/c1-17(2,3)12-6-4-11(5-7-12)16-19-14-9-8-13(18)10-15(14)20-16/h4-10H,1-3H3,(H,19,20)
InChIKeyNKXZAGOKTANLBO-UHFFFAOYSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 52940686
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
6-chloro-2-(1-ethylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 102552286
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
6-[(2-tert-butyl-3H-benzimidazol-5-yl)sulfonyl]-2-(4-tert-butylphenyl)-1H-benzimidazole
CID 163984148
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole (CID 60646324) is 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole is CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole?
The InChIKey is NKXZAGOKTANLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-17(2,3)12-6-4-11(5-7-12)16-19-14-9-8-13(18)10-15(14)20-16/h4-10H,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole?
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole has a molecular weight of 284.79 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole is sourced from PubChem (CID 60646324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).