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

C17H18N2 — CID 899323

IUPAC2-(4-tert-butylphenyl)-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)
InChIKeyLQUNNCQSFFKSSK-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.53
Rot. Bonds1

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

2-(4-tert-butylphenyl)-1H-benzimidazole (PubChem CID 899323) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1H-benzimidazole
PubChem CID899323
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-(4-tert-butylphenyl)-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19)
InChIKeyLQUNNCQSFFKSSK-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-1H-benzimidazole (CID 899323) is 2-(4-tert-butylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-1H-benzimidazole is CC(C)(C)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1H-benzimidazole?
The InChIKey is LQUNNCQSFFKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3,(H,18,19).
What are the key properties of 2-(4-tert-butylphenyl)-1H-benzimidazole?
2-(4-tert-butylphenyl)-1H-benzimidazole has a molecular weight of 250.34 g/mol, XLogP of 4.53, 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)-1H-benzimidazole is sourced from PubChem (CID 899323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).