N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine

C22H20FN5 — CID 133324440

IUPACN-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C22H20FN5/c1-27(16-22-24-13-14-28(22)15-17-5-3-2-4-6-17)21-12-11-20(25-26-21)18-7-9-19(23)10-8-18/h2-14H,15-16H2,1H3
InChIKeyROQRWDHMYPRTQH-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.16
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine

N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine (PubChem CID 133324440) has the molecular formula C22H20FN5 and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
PubChem CID133324440
Molecular FormulaC22H20FN5
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
SMILESCN(Cc1nccn1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C22H20FN5/c1-27(16-22-24-13-14-28(22)15-17-5-3-2-4-6-17)21-12-11-20(25-26-21)18-7-9-19(23)10-8-18/h2-14H,15-16H2,1H3
InChIKeyROQRWDHMYPRTQH-UHFFFAOYSA-N
XLogP4.16
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine (CID 133324440) is N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine is CN(Cc1nccn1Cc1ccccc1)c1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine?
The InChIKey is ROQRWDHMYPRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5/c1-27(16-22-24-13-14-28(22)15-17-5-3-2-4-6-17)21-12-11-20(25-26-21)18-7-9-19(23)10-8-18/h2-14H,15-16H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine?
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine has a molecular weight of 373.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 133324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).