1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole

C25H26N2 — CID 166043849

IUPAC1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
SMILES[2H]C(C)(C)c1cccc(C([2H])(C)C)c1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H26N2/c1-17(2)20-13-10-14-21(18(3)4)24(20)27-23-16-9-8-15-22(23)26-25(27)19-11-6-5-7-12-19/h5-18H,1-4H3/i17D,18D
InChIKeyZXBAOQTZRMQRGD-IUKNHUCNSA-N
MW356.51 g/mol
LogP6.94
Rot. Bonds4

About 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole

1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 166043849) has the molecular formula C25H26N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID166043849
Molecular FormulaC25H26N2
Molecular Weight356.51 g/mol
Exact Mass356.22
IUPAC Name1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
SMILES[2H]C(C)(C)c1cccc(C([2H])(C)C)c1-n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H26N2/c1-17(2)20-13-10-14-21(18(3)4)24(20)27-23-16-9-8-15-22(23)26-25(27)19-11-6-5-7-12-19/h5-18H,1-4H3/i17D,18D
InChIKeyZXBAOQTZRMQRGD-IUKNHUCNSA-N
XLogP6.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-6-phenyl-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166564122
2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 159318889
1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(1,1,1,2,3,3-hexadeuteriopropan-2-yl)phenyl]-2-[3-phenyl-4-(trideuteriomethyl)phenyl]benzimidazole
CID 167338968
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
2-[3-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenyl]isoquinolin-1-yl]phenol
CID 158148668
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
8-[1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]-2-(5-phenyl-1,3-oxazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 171051808
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(7,8-dimethyldibenzofuran-4-yl)benzimidazole
CID 156658516

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole (CID 166043849) is 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole is [2H]C(C)(C)c1cccc(C([2H])(C)C)c1-n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is ZXBAOQTZRMQRGD-IUKNHUCNSA-N. The full InChI is InChI=1S/C25H26N2/c1-17(2)20-13-10-14-21(18(3)4)24(20)27-23-16-9-8-15-22(23)26-25(27)19-11-6-5-7-12-19/h5-18H,1-4H3/i17D,18D.
What are the key properties of 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole?
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 356.51 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 166043849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).