1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole

C16H16N2 — CID 166563925

IUPAC1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
SMILES[2H]C(C)(C)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)17-16(18)13-8-4-3-5-9-13/h3-12H,1-2H3/i12D
InChIKeyJNAYENKNLFJCBE-UQBWLURTSA-N
MW237.32 g/mol
LogP4.28
Rot. Bonds2

About 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole

1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole (PubChem CID 166563925) has the molecular formula C16H16N2 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
PubChem CID166563925
Molecular FormulaC16H16N2
Molecular Weight237.32 g/mol
Exact Mass237.14
IUPAC Name1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
SMILES[2H]C(C)(C)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)17-16(18)13-8-4-3-5-9-13/h3-12H,1-2H3/i12D
InChIKeyJNAYENKNLFJCBE-UQBWLURTSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166563825
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
CID 3729841
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
1-hydroxy-2-phenylbenzimidazole
CID 606555
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-[3-(chloromethyl)phenyl]-1-propan-2-ylbenzimidazole
CID 43325834

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole?
The IUPAC name of 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole (CID 166563925) is 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole is [2H]C(C)(C)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole?
The InChIKey is JNAYENKNLFJCBE-UQBWLURTSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(2)18-15-11-7-6-10-14(15)17-16(18)13-8-4-3-5-9-13/h3-12H,1-2H3/i12D.
What are the key properties of 1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole?
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole has a molecular weight of 237.32 g/mol, XLogP of 4.28, 2 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-phenylbenzimidazole is sourced from PubChem (CID 166563925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).