1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole

C14H16FN3 — CID 141442784

IUPAC1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole
SMILESCc1cc(-c2cn(CC3CNC3)cn2)ccc1F
InChIInChI=1S/C14H16FN3/c1-10-4-12(2-3-13(10)15)14-8-18(9-17-14)7-11-5-16-6-11/h2-4,8-9,11,16H,5-7H2,1H3
InChIKeyKNVRINTZNSDDNV-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.22
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole

1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole (PubChem CID 141442784) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole
PubChem CID141442784
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole
SMILESCc1cc(-c2cn(CC3CNC3)cn2)ccc1F
InChIInChI=1S/C14H16FN3/c1-10-4-12(2-3-13(10)15)14-8-18(9-17-14)7-11-5-16-6-11/h2-4,8-9,11,16H,5-7H2,1H3
InChIKeyKNVRINTZNSDDNV-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 172843445
6-[4-[1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]cyclohexyl]-5-propan-2-ylpyrimidin-4-amine
CID 71516788
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 67264906
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
1-(2,2-difluoroethyl)-4-(4-fluorophenyl)imidazole;ethane
CID 145149010
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
CID 174113164
2-[4-(4-fluoro-3-methylphenyl)-2-[(3R,4S)-3-fluoropiperidin-4-yl]imidazol-1-yl]ethanol
CID 118662239
1-(oxan-4-ylmethyl)-4-phenylimidazole
CID 167444782
1-(oxiran-2-ylmethyl)-4-phenylimidazole
CID 142123624

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole (CID 141442784) is 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole is Cc1cc(-c2cn(CC3CNC3)cn2)ccc1F.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole?
The InChIKey is KNVRINTZNSDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-4-12(2-3-13(10)15)14-8-18(9-17-14)7-11-5-16-6-11/h2-4,8-9,11,16H,5-7H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole?
1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole has a molecular weight of 245.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-(4-fluoro-3-methylphenyl)imidazole is sourced from PubChem (CID 141442784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).