2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol

C15H20N2O — CID 116882858

IUPAC2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2ccc(C)cc2C)[nH]1
InChIInChI=1S/C15H20N2O/c1-4-12(9-18)15-16-8-14(17-15)13-6-5-10(2)7-11(13)3/h5-8,12,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyHKUAMQKMAPBLMA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.18
Rot. Bonds4

About 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol

2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol (PubChem CID 116882858) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
PubChem CID116882858
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2ccc(C)cc2C)[nH]1
InChIInChI=1S/C15H20N2O/c1-4-12(9-18)15-16-8-14(17-15)13-6-5-10(2)7-11(13)3/h5-8,12,18H,4,9H2,1-3H3,(H,16,17)
InChIKeyHKUAMQKMAPBLMA-UHFFFAOYSA-N
XLogP3.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882887
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853
2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
CID 116882841
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
CID 116882842
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
CID 163518861
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878702

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol (CID 116882858) is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol is CCC(CO)c1ncc(-c2ccc(C)cc2C)[nH]1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The InChIKey is HKUAMQKMAPBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-12(9-18)15-16-8-14(17-15)13-6-5-10(2)7-11(13)3/h5-8,12,18H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol?
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol is sourced from PubChem (CID 116882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).