2-benzyl-5-(3-butylphenyl)-1H-imidazole

C20H22N2 — CID 91210581

IUPAC2-benzyl-5-(3-butylphenyl)-1H-imidazole
SMILESCCCCc1cccc(-c2cnc(Cc3ccccc3)[nH]2)c1
InChIInChI=1S/C20H22N2/c1-2-3-8-16-11-7-12-18(13-16)19-15-21-20(22-19)14-17-9-5-4-6-10-17/h4-7,9-13,15H,2-3,8,14H2,1H3,(H,21,22)
InChIKeyDPZOUJLAWIDHGT-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.01
Rot. Bonds6

About 2-benzyl-5-(3-butylphenyl)-1H-imidazole

2-benzyl-5-(3-butylphenyl)-1H-imidazole (PubChem CID 91210581) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-benzyl-5-(3-butylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-(3-butylphenyl)-1H-imidazole
PubChem CID91210581
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-benzyl-5-(3-butylphenyl)-1H-imidazole
SMILESCCCCc1cccc(-c2cnc(Cc3ccccc3)[nH]2)c1
InChIInChI=1S/C20H22N2/c1-2-3-8-16-11-7-12-18(13-16)19-15-21-20(22-19)14-17-9-5-4-6-10-17/h4-7,9-13,15H,2-3,8,14H2,1H3,(H,21,22)
InChIKeyDPZOUJLAWIDHGT-UHFFFAOYSA-N
XLogP5.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
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CID 67927141
2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 142780374
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
CID 70909578
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
1-benzyl-3-pentadecylbenzene
CID 173121378
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3-butylphenyl)-1H-imidazole?
The IUPAC name of 2-benzyl-5-(3-butylphenyl)-1H-imidazole (CID 91210581) is 2-benzyl-5-(3-butylphenyl)-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-(3-butylphenyl)-1H-imidazole?
The canonical SMILES for 2-benzyl-5-(3-butylphenyl)-1H-imidazole is CCCCc1cccc(-c2cnc(Cc3ccccc3)[nH]2)c1.
What is the InChIKey of 2-benzyl-5-(3-butylphenyl)-1H-imidazole?
The InChIKey is DPZOUJLAWIDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-3-8-16-11-7-12-18(13-16)19-15-21-20(22-19)14-17-9-5-4-6-10-17/h4-7,9-13,15H,2-3,8,14H2,1H3,(H,21,22).
What are the key properties of 2-benzyl-5-(3-butylphenyl)-1H-imidazole?
2-benzyl-5-(3-butylphenyl)-1H-imidazole has a molecular weight of 290.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3-butylphenyl)-1H-imidazole is sourced from PubChem (CID 91210581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).