1-imidazol-1-yl-5-phenylpentan-3-ol

C14H18N2O — CID 21415241

IUPAC1-imidazol-1-yl-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CCn1ccnc1
InChIInChI=1S/C14H18N2O/c17-14(8-10-16-11-9-15-12-16)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,14,17H,6-8,10H2
InChIKeyKJWDDVDNTJDLPB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.27
Rot. Bonds6

About 1-imidazol-1-yl-5-phenylpentan-3-ol

1-imidazol-1-yl-5-phenylpentan-3-ol (PubChem CID 21415241) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-imidazol-1-yl-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-5-phenylpentan-3-ol
PubChem CID21415241
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-imidazol-1-yl-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CCn1ccnc1
InChIInChI=1S/C14H18N2O/c17-14(8-10-16-11-9-15-12-16)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,14,17H,6-8,10H2
InChIKeyKJWDDVDNTJDLPB-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-phenyloctyl)imidazole
CID 102394184
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
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1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
CID 70550713
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
CID 166200337
benzyl 2-amino-5-imidazol-1-ylpentanoate
CID 57035168

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-5-phenylpentan-3-ol?
The IUPAC name of 1-imidazol-1-yl-5-phenylpentan-3-ol (CID 21415241) is 1-imidazol-1-yl-5-phenylpentan-3-ol.
What is the SMILES notation for 1-imidazol-1-yl-5-phenylpentan-3-ol?
The canonical SMILES for 1-imidazol-1-yl-5-phenylpentan-3-ol is OC(CCc1ccccc1)CCn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-5-phenylpentan-3-ol?
The InChIKey is KJWDDVDNTJDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(8-10-16-11-9-15-12-16)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,14,17H,6-8,10H2.
What are the key properties of 1-imidazol-1-yl-5-phenylpentan-3-ol?
1-imidazol-1-yl-5-phenylpentan-3-ol has a molecular weight of 230.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-5-phenylpentan-3-ol is sourced from PubChem (CID 21415241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).