2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane

C25H44N4 — CID 157095049

IUPAC2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane
SMILESCC(C)(C)C1=NCCN1.CC(C)C.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C14H20N2.C7H14N2.C4H10/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-7(2,3)6-8-4-5-9-6;1-4(2)3/h6-9H,1-5H3,(H,15,16);4-5H2,1-3H3,(H,8,9);4H,1-3H3
InChIKeyAFCNTHDKAUYCFI-UHFFFAOYSA-N
MW400.66 g/mol
LogP6.68
Rot. Bonds1

About 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane

2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane (PubChem CID 157095049) has the molecular formula C25H44N4 and a molecular weight of 400.66 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane
PubChem CID157095049
Molecular FormulaC25H44N4
Molecular Weight400.66 g/mol
Exact Mass400.36
IUPAC Name2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane
SMILESCC(C)(C)C1=NCCN1.CC(C)C.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C14H20N2.C7H14N2.C4H10/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-7(2,3)6-8-4-5-9-6;1-4(2)3/h6-9H,1-5H3,(H,15,16);4-5H2,1-3H3,(H,8,9);4H,1-3H3
InChIKeyAFCNTHDKAUYCFI-UHFFFAOYSA-N
XLogP6.68
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane with MolForge

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Related Compounds

2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
CID 84696917
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2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
CID 162266881
CID 162266881
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
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6-(4,5-dihydro-1H-imidazol-2-yl)-2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-difluoromethyl]-1H-benzimidazole
CID 54187477
4-[2-[6-(1-fluoropropan-2-yl)-1H-benzimidazol-2-yl]propan-2-yloxy]aniline
CID 118456058
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
CID 58371719
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane (CID 157095049) is 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane is CC(C)(C)C1=NCCN1.CC(C)C.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane?
The InChIKey is AFCNTHDKAUYCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C7H14N2.C4H10/c1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-7(2,3)6-8-4-5-9-6;1-4(2)3/h6-9H,1-5H3,(H,15,16);4-5H2,1-3H3,(H,8,9);4H,1-3H3.
What are the key properties of 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane?
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane has a molecular weight of 400.66 g/mol, XLogP of 6.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane is sourced from PubChem (CID 157095049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).