N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

C18H18FN3 — CID 3643106

IUPACN-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1
InChIInChI=1S/C18H18FN3/c1-13-7-9-14(10-8-13)17-12-21-18(22(17)2)20-11-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyISBFRBWHORQWRK-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.15
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (PubChem CID 3643106) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
PubChem CID3643106
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1
InChIInChI=1S/C18H18FN3/c1-13-7-9-14(10-8-13)17-12-21-18(22(17)2)20-11-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyISBFRBWHORQWRK-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327488
2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3533703
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
2-[[[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163326889
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327759
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
CID 51362157
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
N-[(3-bromophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine;oxalic acid
CID 163327530
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (CID 3643106) is N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is Cc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The InChIKey is ISBFRBWHORQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-13-7-9-14(10-8-13)17-12-21-18(22(17)2)20-11-15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine has a molecular weight of 295.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 3643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).