5-(3-phenoxypropyl)-1H-imidazole

C12H14N2O — CID 10774476

IUPAC5-(3-phenoxypropyl)-1H-imidazole
SMILESc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14)
InChIKeyDOOCQHQHBHNOGX-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.42
Rot. Bonds5

About 5-(3-phenoxypropyl)-1H-imidazole

5-(3-phenoxypropyl)-1H-imidazole (PubChem CID 10774476) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3-phenoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-phenoxypropyl)-1H-imidazole
PubChem CID10774476
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(3-phenoxypropyl)-1H-imidazole
SMILESc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14)
InChIKeyDOOCQHQHBHNOGX-UHFFFAOYSA-N
XLogP2.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanol
CID 6422122
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxypropyl)-1H-imidazole?
The IUPAC name of 5-(3-phenoxypropyl)-1H-imidazole (CID 10774476) is 5-(3-phenoxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-phenoxypropyl)-1H-imidazole?
The canonical SMILES for 5-(3-phenoxypropyl)-1H-imidazole is c1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-(3-phenoxypropyl)-1H-imidazole?
The InChIKey is DOOCQHQHBHNOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14).
What are the key properties of 5-(3-phenoxypropyl)-1H-imidazole?
5-(3-phenoxypropyl)-1H-imidazole has a molecular weight of 202.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxypropyl)-1H-imidazole is sourced from PubChem (CID 10774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).