2-propan-2-yl-1H-benzimidazole

C10H12N2 — CID 22121

IUPAC2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)
InChIKeyRITUGMAIQCZEOG-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.69
Rot. Bonds1

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

2-propan-2-yl-1H-benzimidazole (PubChem CID 22121) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-1H-benzimidazole
PubChem CID22121
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)
InChIKeyRITUGMAIQCZEOG-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-4-tritio-1H-benzimidazole
CID 155790208
2-propan-2-yl-5-tritio-1H-benzimidazole
CID 155790123
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
1-iodo-2,3,4,5-tetramethylbenzene;2-propan-2-yl-1H-benzimidazole
CID 123134181
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-propan-2-yl-1-tritiobenzimidazole;2-propan-2-yl-4-tritio-1H-benzimidazole;2-propan-2-yl-5-tritio-1H-benzimidazole
CID 159955458
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2-propan-2-yl-1H-benzimidazole (CID 22121) is 2-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2-propan-2-yl-1H-benzimidazole is CC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-benzimidazole?
The InChIKey is RITUGMAIQCZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-yl-1H-benzimidazole?
2-propan-2-yl-1H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 22121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).