N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine

C17H18F3N5 — CID 133434405

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)CC(Nc1ccc(C(F)(F)F)nn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18F3N5/c1-10(2)9-13(16-22-11-5-3-4-6-12(11)23-16)21-15-8-7-14(24-25-15)17(18,19)20/h3-8,10,13H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyCZWBETGIWKKRIQ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133434405) has the molecular formula C17H18F3N5 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133434405
Molecular FormulaC17H18F3N5
Molecular Weight349.36 g/mol
Exact Mass349.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)CC(Nc1ccc(C(F)(F)F)nn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18F3N5/c1-10(2)9-13(16-22-11-5-3-4-6-12(11)23-16)21-15-8-7-14(24-25-15)17(18,19)20/h3-8,10,13H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyCZWBETGIWKKRIQ-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 40939636
2-[(1R)-1,2,2,2-tetrafluoroethyl]-1H-benzimidazole
CID 683204
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-benzylthiourea
CID 118715526
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-nitro-4-(trifluoromethyl)aniline
CID 42939443

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133434405) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine is CC(C)CC(Nc1ccc(C(F)(F)F)nn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is CZWBETGIWKKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5/c1-10(2)9-13(16-22-11-5-3-4-6-12(11)23-16)21-15-8-7-14(24-25-15)17(18,19)20/h3-8,10,13H,9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 349.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133434405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).