6-phenyl-2-propan-2-yl-1H-benzimidazole

C16H16N2 — CID 58158979

IUPAC6-phenyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N2/c1-11(2)16-17-14-9-8-13(10-15(14)18-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeyWPKTZLACGTWFIP-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.35
Rot. Bonds2

About 6-phenyl-2-propan-2-yl-1H-benzimidazole

6-phenyl-2-propan-2-yl-1H-benzimidazole (PubChem CID 58158979) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-phenyl-2-propan-2-yl-1H-benzimidazole
PubChem CID58158979
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name6-phenyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N2/c1-11(2)16-17-14-9-8-13(10-15(14)18-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeyWPKTZLACGTWFIP-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-phenyl-2-prop-1-ynyl-1H-benzimidazole
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2-propan-2-yl-4-tritio-1H-benzimidazole
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2-propan-2-yl-5-tritio-1H-benzimidazole
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2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-yl-1H-benzimidazole?
The IUPAC name of 6-phenyl-2-propan-2-yl-1H-benzimidazole (CID 58158979) is 6-phenyl-2-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-phenyl-2-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 6-phenyl-2-propan-2-yl-1H-benzimidazole is CC(C)c1nc2ccc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 6-phenyl-2-propan-2-yl-1H-benzimidazole?
The InChIKey is WPKTZLACGTWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11(2)16-17-14-9-8-13(10-15(14)18-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18).
What are the key properties of 6-phenyl-2-propan-2-yl-1H-benzimidazole?
6-phenyl-2-propan-2-yl-1H-benzimidazole has a molecular weight of 236.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 58158979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).