5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid

C18H17FN4O4 — CID 163327483

IUPAC5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C16H15FN4.C2H2O4/c1-21-15(13-4-6-14(17)7-5-13)11-20-16(21)19-10-12-3-2-8-18-9-12;3-1(4)2(5)6/h2-9,11H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyCPZAGVWMZVOZIT-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.39
Rot. Bonds4

About 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid

5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid (PubChem CID 163327483) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
PubChem CID163327483
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C16H15FN4.C2H2O4/c1-21-15(13-4-6-14(17)7-5-13)11-20-16(21)19-10-12-3-2-8-18-9-12;3-1(4)2(5)6/h2-9,11H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6)
InChIKeyCPZAGVWMZVOZIT-UHFFFAOYSA-N
XLogP2.39
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327488
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126460429
5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009
5-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 3605721
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 5007212
5-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 163326874

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid (CID 163327483) is 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid is Cn1c(-c2ccc(F)cc2)cnc1NCc1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid?
The InChIKey is CPZAGVWMZVOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4.C2H2O4/c1-21-15(13-4-6-14(17)7-5-13)11-20-16(21)19-10-12-3-2-8-18-9-12;3-1(4)2(5)6/h2-9,11H,10H2,1H3,(H,19,20);(H,3,4)(H,5,6).
What are the key properties of 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid?
5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid has a molecular weight of 372.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid is sourced from PubChem (CID 163327483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).