azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole

C18H21N3 — CID 174441840

IUPACazane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
SMILESN.c1ccc(CCCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C18H18N2.H3N/c1-3-8-15(9-4-1)10-7-13-18-19-14-17(20-18)16-11-5-2-6-12-16;/h1-6,8-9,11-12,14H,7,10,13H2,(H,19,20);1H3
InChIKeyJKLLQENPZHNPLA-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.41
Rot. Bonds5

About azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole

azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole (PubChem CID 174441840) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole.

Molecular Properties

Compound Nameazane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
PubChem CID174441840
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Nameazane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
SMILESN.c1ccc(CCCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C18H18N2.H3N/c1-3-8-15(9-4-1)10-7-13-18-19-14-17(20-18)16-11-5-2-6-12-16;/h1-6,8-9,11-12,14H,7,10,13H2,(H,19,20);1H3
InChIKeyJKLLQENPZHNPLA-UHFFFAOYSA-N
XLogP4.41
TPSA63.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
3-(5-phenyl-1H-imidazol-2-yl)propoxy-tri(propan-2-yl)silane
CID 154633145
2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
CID 13170817
2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
CID 139644021
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879175
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
CID 23509804
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424

Frequently Asked Questions

What is the IUPAC name of azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole?
The IUPAC name of azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole (CID 174441840) is azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole.
What is the SMILES notation for azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole?
The canonical SMILES for azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole is N.c1ccc(CCCc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole?
The InChIKey is JKLLQENPZHNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2.H3N/c1-3-8-15(9-4-1)10-7-13-18-19-14-17(20-18)16-11-5-2-6-12-16;/h1-6,8-9,11-12,14H,7,10,13H2,(H,19,20);1H3.
What are the key properties of azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole?
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole has a molecular weight of 279.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole is sourced from PubChem (CID 174441840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).