bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole

C26H42N6 — CID 162149780

IUPACbis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=CN=CC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1
InChIInChI=1S/2C7H11N.2C6H10N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyZLAVGYSVWZNHCM-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.21
Rot. Bonds4

About bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole

bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole (PubChem CID 162149780) has the molecular formula C26H42N6 and a molecular weight of 438.66 g/mol. Its IUPAC name is bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Namebis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole
PubChem CID162149780
Molecular FormulaC26H42N6
Molecular Weight438.66 g/mol
Exact Mass438.35
IUPAC Namebis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=CN=CC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1
InChIInChI=1S/2C7H11N.2C6H10N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyZLAVGYSVWZNHCM-UHFFFAOYSA-N
XLogP7.21
TPSA85.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole?
The IUPAC name of bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole (CID 162149780) is bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole.
What is the SMILES notation for bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole?
The canonical SMILES for bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole is CC(C)C1=CN=CC1.CC(C)c1ccc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.
What is the InChIKey of bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole?
The InChIKey is ZLAVGYSVWZNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.2C6H10N2/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole?
bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole has a molecular weight of 438.66 g/mol, XLogP of 7.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 162149780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).