2-phenyl-4-(3-phenylpropyl)-1-propylimidazole

C21H24N2 — CID 69389912

IUPAC2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
SMILESCCCn1cc(CCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-2-16-23-17-20(15-9-12-18-10-5-3-6-11-18)22-21(23)19-13-7-4-8-14-19/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3
InChIKeyNGPMPBOCAAPBQN-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.14
Rot. Bonds7

About 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole

2-phenyl-4-(3-phenylpropyl)-1-propylimidazole (PubChem CID 69389912) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
PubChem CID69389912
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
SMILESCCCn1cc(CCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N2/c1-2-16-23-17-20(15-9-12-18-10-5-3-6-11-18)22-21(23)19-13-7-4-8-14-19/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3
InChIKeyNGPMPBOCAAPBQN-UHFFFAOYSA-N
XLogP5.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole?
The IUPAC name of 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole (CID 69389912) is 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole.
What is the SMILES notation for 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole?
The canonical SMILES for 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole is CCCn1cc(CCCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole?
The InChIKey is NGPMPBOCAAPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-16-23-17-20(15-9-12-18-10-5-3-6-11-18)22-21(23)19-13-7-4-8-14-19/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3.
What are the key properties of 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole?
2-phenyl-4-(3-phenylpropyl)-1-propylimidazole has a molecular weight of 304.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylpropyl)-1-propylimidazole is sourced from PubChem (CID 69389912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).