5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride

C16H18ClFN4 — CID 23445064

IUPAC5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCc1cc(-c2cnc(Cn3ccnc3C)n2C)ccc1F.Cl
InChIInChI=1S/C16H17FN4.ClH/c1-11-8-13(4-5-14(11)17)15-9-19-16(20(15)3)10-21-7-6-18-12(21)2;/h4-9H,10H2,1-3H3;1H
InChIKeyTWSTZQHWLXGDIQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.51
Rot. Bonds3

About 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride

5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride (PubChem CID 23445064) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
PubChem CID23445064
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
SMILESCc1cc(-c2cnc(Cn3ccnc3C)n2C)ccc1F.Cl
InChIInChI=1S/C16H17FN4.ClH/c1-11-8-13(4-5-14(11)17)15-9-19-16(20(15)3)10-21-7-6-18-12(21)2;/h4-9H,10H2,1-3H3;1H
InChIKeyTWSTZQHWLXGDIQ-UHFFFAOYSA-N
XLogP3.51
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 141054871
3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride
CID 23445027
3,4-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazole
CID 60968456
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 22240125
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 46969122
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 10359623
3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
CID 175294448
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride
CID 23445013
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride (CID 23445064) is 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride is Cc1cc(-c2cnc(Cn3ccnc3C)n2C)ccc1F.Cl.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
The InChIKey is TWSTZQHWLXGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4.ClH/c1-11-8-13(4-5-14(11)17)15-9-19-16(20(15)3)10-21-7-6-18-12(21)2;/h4-9H,10H2,1-3H3;1H.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride?
5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride has a molecular weight of 320.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 23445064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).