4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile

C12H11N3O — CID 10560537

IUPAC4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H11N3O/c13-7-10-1-3-12(4-2-10)16-6-5-11-8-14-9-15-11/h1-4,8-9H,5-6H2,(H,14,15)
InChIKeyLFZDEVOHPXNIPR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.90
Rot. Bonds4

About 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile

4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile (PubChem CID 10560537) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile
PubChem CID10560537
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H11N3O/c13-7-10-1-3-12(4-2-10)16-6-5-11-8-14-9-15-11/h1-4,8-9H,5-6H2,(H,14,15)
InChIKeyLFZDEVOHPXNIPR-UHFFFAOYSA-N
XLogP1.90
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
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4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
Imidazole, 4-(2-(2-naphthyloxy)ethyl)-
CID 202200
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
1-(tert-Butylamino)-3-{4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy}propan-2-ol
CID 13621758
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile (CID 10560537) is 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile is N#Cc1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile?
The InChIKey is LFZDEVOHPXNIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-7-10-1-3-12(4-2-10)16-6-5-11-8-14-9-15-11/h1-4,8-9H,5-6H2,(H,14,15).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile?
4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethoxy]benzonitrile is sourced from PubChem (CID 10560537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).