[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine

C18H17ClFN3 — CID 91450317

IUPAC[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3Cl)nc2CN)cc1
InChIInChI=1S/C18H17ClFN3/c1-12-2-4-13(5-3-12)10-23-11-17(22-18(23)9-21)15-7-6-14(20)8-16(15)19/h2-8,11H,9-10,21H2,1H3
InChIKeyHNVIJICKUUSIEB-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.16
Rot. Bonds4

About [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine

[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine (PubChem CID 91450317) has the molecular formula C18H17ClFN3 and a molecular weight of 329.81 g/mol. Its IUPAC name is [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine
PubChem CID91450317
Molecular FormulaC18H17ClFN3
Molecular Weight329.81 g/mol
Exact Mass329.11
IUPAC Name[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCc1ccc(Cn2cc(-c3ccc(F)cc3Cl)nc2CN)cc1
InChIInChI=1S/C18H17ClFN3/c1-12-2-4-13(5-3-12)10-23-11-17(22-18(23)9-21)15-7-6-14(20)8-16(15)19/h2-8,11H,9-10,21H2,1H3
InChIKeyHNVIJICKUUSIEB-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine (CID 91450317) is [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine is Cc1ccc(Cn2cc(-c3ccc(F)cc3Cl)nc2CN)cc1.
What is the InChIKey of [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is HNVIJICKUUSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3/c1-12-2-4-13(5-3-12)10-23-11-17(22-18(23)9-21)15-7-6-14(20)8-16(15)19/h2-8,11H,9-10,21H2,1H3.
What are the key properties of [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine?
[4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 329.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-fluorophenyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 91450317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).