1-(4-butylphenyl)imidazole

C13H16N2 — CID 174821695

IUPAC1-(4-butylphenyl)imidazole
SMILESCCCCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2/c1-2-3-4-12-5-7-13(8-6-12)15-10-9-14-11-15/h5-11H,2-4H2,1H3
InChIKeyKXKPAMUHLYIZQW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-butylphenyl)imidazole

1-(4-butylphenyl)imidazole (PubChem CID 174821695) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-butylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-butylphenyl)imidazole
PubChem CID174821695
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(4-butylphenyl)imidazole
SMILESCCCCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2/c1-2-3-4-12-5-7-13(8-6-12)15-10-9-14-11-15/h5-11H,2-4H2,1H3
InChIKeyKXKPAMUHLYIZQW-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
(4-imidazol-1-ylphenyl)arsane
CID 173134933
N-(cyclopropylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 78821034
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)imidazole?
The IUPAC name of 1-(4-butylphenyl)imidazole (CID 174821695) is 1-(4-butylphenyl)imidazole.
What is the SMILES notation for 1-(4-butylphenyl)imidazole?
The canonical SMILES for 1-(4-butylphenyl)imidazole is CCCCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)imidazole?
The InChIKey is KXKPAMUHLYIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-4-12-5-7-13(8-6-12)15-10-9-14-11-15/h5-11H,2-4H2,1H3.
What are the key properties of 1-(4-butylphenyl)imidazole?
1-(4-butylphenyl)imidazole has a molecular weight of 200.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)imidazole is sourced from PubChem (CID 174821695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).