2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane

C15H27N3 — CID 159067766

IUPAC2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane
SMILESCC(C)(C)C1=NC=CC1.CC(C)C.c1c[nH]cn1
InChIInChI=1S/C8H13N.C4H10.C3H4N2/c1-8(2,3)7-5-4-6-9-7;1-4(2)3;1-2-5-3-4-1/h4,6H,5H2,1-3H3;4H,1-3H3;1-3H,(H,4,5)
InChIKeyJZGWDAOXJRHZFH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.46
Rot. Bonds

About 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane

2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane (PubChem CID 159067766) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane.

Molecular Properties

Compound Name2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane
PubChem CID159067766
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane
SMILESCC(C)(C)C1=NC=CC1.CC(C)C.c1c[nH]cn1
InChIInChI=1S/C8H13N.C4H10.C3H4N2/c1-8(2,3)7-5-4-6-9-7;1-4(2)3;1-2-5-3-4-1/h4,6H,5H2,1-3H3;4H,1-3H3;1-3H,(H,4,5)
InChIKeyJZGWDAOXJRHZFH-UHFFFAOYSA-N
XLogP4.46
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3H-pyrrole;ethane
CID 161446018
ethane;tris(1H-imidazole);methane;tetrakis(2-methylpropane)
CID 161470002
2-tert-butyl-3H-pyrrole;5-tert-butyl-3H-pyrrole
CID 158012129
1H-imidazole;palladium;hydrate
CID 175168790
copper;1H-imidazole
CID 159630200
CID 57451196
CID 57451196
chloranium 1H-imidazole
CID 172826260
CID 70626960
CID 70626960
1H-imidazole;tetrahydrochloride
CID 141350371
CID 175227621
CID 175227621
cerium(4+);1H-imidazole
CID 175891649
1H-imidazole;ruthenium(2+)
CID 23025261

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane?
The IUPAC name of 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane (CID 159067766) is 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane.
What is the SMILES notation for 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane?
The canonical SMILES for 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane is CC(C)(C)C1=NC=CC1.CC(C)C.c1c[nH]cn1.
What is the InChIKey of 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane?
The InChIKey is JZGWDAOXJRHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C4H10.C3H4N2/c1-8(2,3)7-5-4-6-9-7;1-4(2)3;1-2-5-3-4-1/h4,6H,5H2,1-3H3;4H,1-3H3;1-3H,(H,4,5).
What are the key properties of 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane?
2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane has a molecular weight of 249.40 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-pyrrole;1H-imidazole;2-methylpropane is sourced from PubChem (CID 159067766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).