2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole

C16H18N4 — CID 56863024

IUPAC2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCCc1ccccc1
InChIInChI=1S/C16H18N4/c1-13-15(19-12-18-13)16-17-9-11-20(16)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,18,19)
InChIKeyBHFXTIOMZGCPQZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.21
Rot. Bonds5

About 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole

2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole (PubChem CID 56863024) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole
PubChem CID56863024
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCCc1ccccc1
InChIInChI=1S/C16H18N4/c1-13-15(19-12-18-13)16-17-9-11-20(16)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,18,19)
InChIKeyBHFXTIOMZGCPQZ-UHFFFAOYSA-N
XLogP3.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole?
The IUPAC name of 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole (CID 56863024) is 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole?
The canonical SMILES for 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole is Cc1[nH]cnc1-c1nccn1CCCc1ccccc1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole?
The InChIKey is BHFXTIOMZGCPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-13-15(19-12-18-13)16-17-9-11-20(16)10-5-8-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H,18,19).
What are the key properties of 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole?
2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole has a molecular weight of 266.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-4-yl)-1-(3-phenylpropyl)imidazole is sourced from PubChem (CID 56863024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).