1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole

C18H17N5O — CID 70750809

IUPAC1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
SMILESCc1cn(CCn2ccnc2-c2ccccc2-c2ccco2)nn1
InChIInChI=1S/C18H17N5O/c1-14-13-23(21-20-14)11-10-22-9-8-19-18(22)16-6-3-2-5-15(16)17-7-4-12-24-17/h2-9,12-13H,10-11H2,1H3
InChIKeyPRPQFMUEYCRXPI-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole

1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole (PubChem CID 70750809) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole.

Molecular Properties

Compound Name1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
PubChem CID70750809
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
SMILESCc1cn(CCn2ccnc2-c2ccccc2-c2ccco2)nn1
InChIInChI=1S/C18H17N5O/c1-14-13-23(21-20-14)11-10-22-9-8-19-18(22)16-6-3-2-5-15(16)17-7-4-12-24-17/h2-9,12-13H,10-11H2,1H3
InChIKeyPRPQFMUEYCRXPI-UHFFFAOYSA-N
XLogP3.41
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946
2-(2-methylphenyl)-5-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]-1,3-thiazole
CID 70722060
2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine
CID 165428599
3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 70746811
2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
CID 56907677
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole
CID 91261556
2-(4-methyltriazol-1-yl)ethanol
CID 66634666
1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole
CID 168526302
3-[2-[2-(furan-2-yl)imidazol-1-yl]ethyl]pyridine
CID 156586954
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole?
The IUPAC name of 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole (CID 70750809) is 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole.
What is the SMILES notation for 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole?
The canonical SMILES for 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole is Cc1cn(CCn2ccnc2-c2ccccc2-c2ccco2)nn1.
What is the InChIKey of 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole?
The InChIKey is PRPQFMUEYCRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-14-13-23(21-20-14)11-10-22-9-8-19-18(22)16-6-3-2-5-15(16)17-7-4-12-24-17/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole?
1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole has a molecular weight of 319.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole is sourced from PubChem (CID 70750809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).