1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole

C17H18N2 — CID 166563825

IUPAC1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccccc3n2C([2H])(C)C)cc1
InChIInChI=1S/C17H18N2/c1-12(2)19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(3)9-11-14/h4-12H,1-3H3/i3D3,12D
InChIKeyHQNJTXBUZSIIIW-ZRJNVTFKSA-N
MW254.37 g/mol
LogP4.59
Rot. Bonds3

About 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole

1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole (PubChem CID 166563825) has the molecular formula C17H18N2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
PubChem CID166563825
Molecular FormulaC17H18N2
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccccc3n2C([2H])(C)C)cc1
InChIInChI=1S/C17H18N2/c1-12(2)19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(3)9-11-14/h4-12H,1-3H3/i3D3,12D
InChIKeyHQNJTXBUZSIIIW-ZRJNVTFKSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
CID 3729841
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-6-phenyl-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166564122
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
2-(4-methylphenyl)benzimidazole-1-carbonitrile
CID 57069753
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole?
The IUPAC name of 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole (CID 166563825) is 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole.
What is the SMILES notation for 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole?
The canonical SMILES for 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole is [2H]C([2H])([2H])c1ccc(-c2nc3ccccc3n2C([2H])(C)C)cc1.
What is the InChIKey of 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole?
The InChIKey is HQNJTXBUZSIIIW-ZRJNVTFKSA-N. The full InChI is InChI=1S/C17H18N2/c1-12(2)19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(3)9-11-14/h4-12H,1-3H3/i3D3,12D.
What are the key properties of 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole?
1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole has a molecular weight of 254.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole is sourced from PubChem (CID 166563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).