1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol

C26H30N4O — CID 164519484

IUPAC1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol
SMILESOC(Cc1ncc(CCCc2ccccc2)[nH]1)c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C26H30N4O/c31-24(26-28-19-23(30-26)16-8-14-21-11-5-2-6-12-21)17-25-27-18-22(29-25)15-7-13-20-9-3-1-4-10-20/h1-6,9-12,18-19,24,31H,7-8,13-17H2,(H,27,29)(H,28,30)
InChIKeyZMPVHMJUCKREDO-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.76
Rot. Bonds11

About 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol

1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol (PubChem CID 164519484) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol
PubChem CID164519484
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol
SMILESOC(Cc1ncc(CCCc2ccccc2)[nH]1)c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C26H30N4O/c31-24(26-28-19-23(30-26)16-8-14-21-11-5-2-6-12-21)17-25-27-18-22(29-25)15-7-13-20-9-3-1-4-10-20/h1-6,9-12,18-19,24,31H,7-8,13-17H2,(H,27,29)(H,28,30)
InChIKeyZMPVHMJUCKREDO-UHFFFAOYSA-N
XLogP4.76
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
CID 139695560
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
(1R)-1-[5-[(S)-methoxy(phenyl)methyl]-1H-imidazol-2-yl]-2-phenylethanol
CID 102349438
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
5-(3-phenylpropyl)-1H-pyrrole-2-carboxylic acid
CID 57435157
2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 123810509
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
CID 79781097

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol (CID 164519484) is 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol is OC(Cc1ncc(CCCc2ccccc2)[nH]1)c1ncc(CCCc2ccccc2)[nH]1.
What is the InChIKey of 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is ZMPVHMJUCKREDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-24(26-28-19-23(30-26)16-8-14-21-11-5-2-6-12-21)17-25-27-18-22(29-25)15-7-13-20-9-3-1-4-10-20/h1-6,9-12,18-19,24,31H,7-8,13-17H2,(H,27,29)(H,28,30).
What are the key properties of 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol?
1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 414.55 g/mol, XLogP of 4.76, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 164519484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).