1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol

C16H22N2O — CID 79761213

IUPAC1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
SMILESCCCn1ccnc1CCCC(O)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-12-18-13-11-17-16(18)10-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,11,13,15,19H,2,6,9-10,12H2,1H3
InChIKeyOSBPLMAFUDMOGK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds7

About 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol

1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol (PubChem CID 79761213) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
PubChem CID79761213
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
SMILESCCCn1ccnc1CCCC(O)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-12-18-13-11-17-16(18)10-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,11,13,15,19H,2,6,9-10,12H2,1H3
InChIKeyOSBPLMAFUDMOGK-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 79761574
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
CID 79760428
N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
(1R)-2-[2-(2-ethylimidazol-1-yl)ethyl-methylamino]-1-phenylethanol
CID 124757752
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol?
The IUPAC name of 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol (CID 79761213) is 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol is CCCn1ccnc1CCCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol?
The InChIKey is OSBPLMAFUDMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-12-18-13-11-17-16(18)10-6-9-15(19)14-7-4-3-5-8-14/h3-5,7-8,11,13,15,19H,2,6,9-10,12H2,1H3.
What are the key properties of 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol?
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 79761213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).