1-phenyl-2-propan-2-ylbenzimidazole

C16H16N2 — CID 21050246

IUPAC1-phenyl-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2/c1-12(2)16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyAKFXBZAPALKDQG-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.15
Rot. Bonds2

About 1-phenyl-2-propan-2-ylbenzimidazole

1-phenyl-2-propan-2-ylbenzimidazole (PubChem CID 21050246) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-phenyl-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-phenyl-2-propan-2-ylbenzimidazole
PubChem CID21050246
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-phenyl-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H16N2/c1-12(2)16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyAKFXBZAPALKDQG-UHFFFAOYSA-N
XLogP4.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
2,4,6-tris(2-propan-2-ylbenzimidazol-1-yl)aniline
CID 118185048
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
bis(2-methylpropane);1-phenyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine
CID 157066901
2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-propan-2-ylbenzimidazole
CID 87412317
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
CID 43470493
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
2-chloro-1-phenylbenzimidazole
CID 12675133

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-phenyl-2-propan-2-ylbenzimidazole (CID 21050246) is 1-phenyl-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-phenyl-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-phenyl-2-propan-2-ylbenzimidazole is CC(C)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-propan-2-ylbenzimidazole?
The InChIKey is AKFXBZAPALKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(2)16-17-14-10-6-7-11-15(14)18(16)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 1-phenyl-2-propan-2-ylbenzimidazole?
1-phenyl-2-propan-2-ylbenzimidazole has a molecular weight of 236.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 21050246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).