bis(1-methyl-2-phenylimidazole);pentane

C25H32N4 — CID 134304641

IUPACbis(1-methyl-2-phenylimidazole);pentane
SMILESCCCCC.Cn1ccnc1-c1ccccc1.Cn1ccnc1-c1ccccc1
InChIInChI=1S/2C10H10N2.C5H12/c2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-3-5-4-2/h2*2-8H,1H3;3-5H2,1-2H3
InChIKeyKXJAKRRIUPYGSJ-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.37
Rot. Bonds4

About bis(1-methyl-2-phenylimidazole);pentane

bis(1-methyl-2-phenylimidazole);pentane (PubChem CID 134304641) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is bis(1-methyl-2-phenylimidazole);pentane.

Molecular Properties

Compound Namebis(1-methyl-2-phenylimidazole);pentane
PubChem CID134304641
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Namebis(1-methyl-2-phenylimidazole);pentane
SMILESCCCCC.Cn1ccnc1-c1ccccc1.Cn1ccnc1-c1ccccc1
InChIInChI=1S/2C10H10N2.C5H12/c2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-3-5-4-2/h2*2-8H,1H3;3-5H2,1-2H3
InChIKeyKXJAKRRIUPYGSJ-UHFFFAOYSA-N
XLogP6.37
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-2-phenylimidazole);pentane?
The IUPAC name of bis(1-methyl-2-phenylimidazole);pentane (CID 134304641) is bis(1-methyl-2-phenylimidazole);pentane.
What is the SMILES notation for bis(1-methyl-2-phenylimidazole);pentane?
The canonical SMILES for bis(1-methyl-2-phenylimidazole);pentane is CCCCC.Cn1ccnc1-c1ccccc1.Cn1ccnc1-c1ccccc1.
What is the InChIKey of bis(1-methyl-2-phenylimidazole);pentane?
The InChIKey is KXJAKRRIUPYGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.C5H12/c2*1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-3-5-4-2/h2*2-8H,1H3;3-5H2,1-2H3.
What are the key properties of bis(1-methyl-2-phenylimidazole);pentane?
bis(1-methyl-2-phenylimidazole);pentane has a molecular weight of 388.56 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-2-phenylimidazole);pentane is sourced from PubChem (CID 134304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).