(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C24H24FN3 — CID 11234151

IUPAC(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccccc1[C@H]1NC(NCc2cccc(F)c2)=N[C@H]1c1ccccc1C
InChIInChI=1S/C24H24FN3/c1-16-8-3-5-12-20(16)22-23(21-13-6-4-9-17(21)2)28-24(27-22)26-15-18-10-7-11-19(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+
InChIKeyIXZVTTSQJNERDV-ZRZAMGCNSA-N
MW373.48 g/mol
LogP4.97
Rot. Bonds4

About (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11234151) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11234151
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1ccccc1[C@H]1NC(NCc2cccc(F)c2)=N[C@H]1c1ccccc1C
InChIInChI=1S/C24H24FN3/c1-16-8-3-5-12-20(16)22-23(21-13-6-4-9-17(21)2)28-24(27-22)26-15-18-10-7-11-19(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+
InChIKeyIXZVTTSQJNERDV-ZRZAMGCNSA-N
XLogP4.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 11234151) is (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1ccccc1[C@H]1NC(NCc2cccc(F)c2)=N[C@H]1c1ccccc1C.
What is the InChIKey of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IXZVTTSQJNERDV-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H24FN3/c1-16-8-3-5-12-20(16)22-23(21-13-6-4-9-17(21)2)28-24(27-22)26-15-18-10-7-11-19(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+.
What are the key properties of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 373.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11234151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).