5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole

C51H47FN6 — CID 143835481

IUPAC5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole
SMILESCc1cccc(C(c2ccccc2)c2cnc[nH]2)c1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F.Cc1ccccc1C(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C17H15FN2.2C17H16N2/c1-12-6-5-9-14(17(12)18)16(15-10-19-11-20-15)13-7-3-2-4-8-13;1-13-7-5-6-10-15(13)17(16-11-18-12-19-16)14-8-3-2-4-9-14;1-13-6-5-9-15(10-13)17(16-11-18-12-19-16)14-7-3-2-4-8-14/h2-11,16H,1H3,(H,19,20);2*2-12,17H,1H3,(H,18,19)
InChIKeyMZDDLFPHVFPVQT-UHFFFAOYSA-N
MW762.98 g/mol
LogP11.83
Rot. Bonds9

About 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole

5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole (PubChem CID 143835481) has the molecular formula C51H47FN6 and a molecular weight of 762.98 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole
PubChem CID143835481
Molecular FormulaC51H47FN6
Molecular Weight762.98 g/mol
Exact Mass762.38
IUPAC Name5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole
SMILESCc1cccc(C(c2ccccc2)c2cnc[nH]2)c1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F.Cc1ccccc1C(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C17H15FN2.2C17H16N2/c1-12-6-5-9-14(17(12)18)16(15-10-19-11-20-15)13-7-3-2-4-8-13;1-13-7-5-6-10-15(13)17(16-11-18-12-19-16)14-8-3-2-4-9-14;1-13-6-5-9-15(10-13)17(16-11-18-12-19-16)14-7-3-2-4-8-14/h2-11,16H,1H3,(H,19,20);2*2-12,17H,1H3,(H,18,19)
InChIKeyMZDDLFPHVFPVQT-UHFFFAOYSA-N
XLogP11.83
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.98
LogP ≤ 511.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
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N-[2-[2-(3,3-Diphenylpropyl)-1H-imidazol-5-yl]ethyl]-1H-imidazole-5-propanamine
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CID 10541832
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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole?
The IUPAC name of 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole (CID 143835481) is 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole?
The canonical SMILES for 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole is Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1.Cc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F.Cc1ccccc1C(c1ccccc1)c1cnc[nH]1.
What is the InChIKey of 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole?
The InChIKey is MZDDLFPHVFPVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2.2C17H16N2/c1-12-6-5-9-14(17(12)18)16(15-10-19-11-20-15)13-7-3-2-4-8-13;1-13-7-5-6-10-15(13)17(16-11-18-12-19-16)14-8-3-2-4-9-14;1-13-6-5-9-15(10-13)17(16-11-18-12-19-16)14-7-3-2-4-8-14/h2-11,16H,1H3,(H,19,20);2*2-12,17H,1H3,(H,18,19).
What are the key properties of 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole?
5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole has a molecular weight of 762.98 g/mol, XLogP of 11.83, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole is sourced from PubChem (CID 143835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).