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

C19H20N2O — CID 21193534

IUPAC5-(3-benzhydryloxypropyl)-1H-imidazole
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
InChIKeyLJIRQKCQUPMGIY-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.15
Rot. Bonds7

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

5-(3-benzhydryloxypropyl)-1H-imidazole (PubChem CID 21193534) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(3-benzhydryloxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-benzhydryloxypropyl)-1H-imidazole
PubChem CID21193534
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(3-benzhydryloxypropyl)-1H-imidazole
SMILESc1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21)
InChIKeyLJIRQKCQUPMGIY-UHFFFAOYSA-N
XLogP4.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.15
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

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 24825522
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-4-ylmethyl)-2-phenyl-piperidine
CID 11799022
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
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 24825524

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzhydryloxypropyl)-1H-imidazole?
The IUPAC name of 5-(3-benzhydryloxypropyl)-1H-imidazole (CID 21193534) is 5-(3-benzhydryloxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-benzhydryloxypropyl)-1H-imidazole?
The canonical SMILES for 5-(3-benzhydryloxypropyl)-1H-imidazole is c1ccc(C(OCCCc2cnc[nH]2)c2ccccc2)cc1.
What is the InChIKey of 5-(3-benzhydryloxypropyl)-1H-imidazole?
The InChIKey is LJIRQKCQUPMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)22-13-7-12-18-14-20-15-21-18/h1-6,8-11,14-15,19H,7,12-13H2,(H,20,21).
What are the key properties of 5-(3-benzhydryloxypropyl)-1H-imidazole?
5-(3-benzhydryloxypropyl)-1H-imidazole has a molecular weight of 292.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzhydryloxypropyl)-1H-imidazole is sourced from PubChem (CID 21193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).