1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane

C63H126N8 — CID 157149950

IUPAC1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane
SMILESC.C.C.C.C.C.CC(C)CC1=CCC(CC(C)C)=N1.CC(C)CC1=CN=C(CC(C)C)C1.CC(C)Cc1ccn(CC(C)C)n1.CC(C)Cc1cn(CC(C)C)cn1.CC(C)Cc1cnn(CC(C)C)c1
InChIInChI=1S/2C12H21N.3C11H20N2.6CH4/c1-9(2)5-11-7-12(13-8-11)6-10(3)4;1-9(2)7-11-5-6-12(13-11)8-10(3)4;1-9(2)5-11-6-12-13(8-11)7-10(3)4;1-9(2)5-11-7-13(8-12-11)6-10(3)4;1-9(2)7-11-5-6-13(12-11)8-10(3)4;;;;;;/h8-10H,5-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;6,8-10H,5,7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;6*1H4
InChIKeyALDFUDRCBBMIIW-UHFFFAOYSA-N
MW995.76 g/mol
LogP19.64
Rot. Bonds20

About 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane

1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane (PubChem CID 157149950) has the molecular formula C63H126N8 and a molecular weight of 995.76 g/mol. Its IUPAC name is 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane.

Molecular Properties

Compound Name1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane
PubChem CID157149950
Molecular FormulaC63H126N8
Molecular Weight995.76 g/mol
Exact Mass995.01
IUPAC Name1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane
SMILESC.C.C.C.C.C.CC(C)CC1=CCC(CC(C)C)=N1.CC(C)CC1=CN=C(CC(C)C)C1.CC(C)Cc1ccn(CC(C)C)n1.CC(C)Cc1cn(CC(C)C)cn1.CC(C)Cc1cnn(CC(C)C)c1
InChIInChI=1S/2C12H21N.3C11H20N2.6CH4/c1-9(2)5-11-7-12(13-8-11)6-10(3)4;1-9(2)7-11-5-6-12(13-11)8-10(3)4;1-9(2)5-11-6-12-13(8-11)7-10(3)4;1-9(2)5-11-7-13(8-12-11)6-10(3)4;1-9(2)7-11-5-6-13(12-11)8-10(3)4;;;;;;/h8-10H,5-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;6,8-10H,5,7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;6*1H4
InChIKeyALDFUDRCBBMIIW-UHFFFAOYSA-N
XLogP19.64
TPSA78.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.76
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane?
The IUPAC name of 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane (CID 157149950) is 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane.
What is the SMILES notation for 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane?
The canonical SMILES for 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane is C.C.C.C.C.C.CC(C)CC1=CCC(CC(C)C)=N1.CC(C)CC1=CN=C(CC(C)C)C1.CC(C)Cc1ccn(CC(C)C)n1.CC(C)Cc1cn(CC(C)C)cn1.CC(C)Cc1cnn(CC(C)C)c1.
What is the InChIKey of 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane?
The InChIKey is ALDFUDRCBBMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H21N.3C11H20N2.6CH4/c1-9(2)5-11-7-12(13-8-11)6-10(3)4;1-9(2)7-11-5-6-12(13-11)8-10(3)4;1-9(2)5-11-6-12-13(8-11)7-10(3)4;1-9(2)5-11-7-13(8-12-11)6-10(3)4;1-9(2)7-11-5-6-13(12-11)8-10(3)4;;;;;;/h8-10H,5-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;6,8-10H,5,7H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3;6*1H4.
What are the key properties of 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane?
1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane has a molecular weight of 995.76 g/mol, XLogP of 19.64, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylpropyl)imidazole;1,3-bis(2-methylpropyl)pyrazole;1,4-bis(2-methylpropyl)pyrazole;2,4-bis(2-methylpropyl)-3H-pyrrole;2,5-bis(2-methylpropyl)-3H-pyrrole;methane is sourced from PubChem (CID 157149950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).