2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine

C17H13F3N6O — CID 70938156

IUPAC2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
SMILESCOc1ccc(-n2c(-c3cccn3N)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-27-15-7-6-14(23-24-15)26-12-5-4-10(17(18,19)20)9-11(12)22-16(26)13-3-2-8-25(13)21/h2-9H,21H2,1H3
InChIKeyVVQMXAVESMASPT-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.03
Rot. Bonds3

About 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine

2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine (PubChem CID 70938156) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine.

Molecular Properties

Compound Name2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
PubChem CID70938156
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine
SMILESCOc1ccc(-n2c(-c3cccn3N)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-27-15-7-6-14(23-24-15)26-12-5-4-10(17(18,19)20)9-11(12)22-16(26)13-3-2-8-25(13)21/h2-9H,21H2,1H3
InChIKeyVVQMXAVESMASPT-UHFFFAOYSA-N
XLogP3.03
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluoro-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847994
2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847942
2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847943
1-(6-methoxypyridazin-3-yl)-2-(1-methyltriazol-4-yl)-5-(trifluoromethoxy)benzimidazole
CID 53251289
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 142765912
ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
CID 58517030
4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 170367077
1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
CID 70847916
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46308540
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
CID 62506357
3-(5-methoxy-2-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121332377

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine?
The IUPAC name of 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine (CID 70938156) is 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine.
What is the SMILES notation for 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine?
The canonical SMILES for 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine is COc1ccc(-n2c(-c3cccn3N)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine?
The InChIKey is VVQMXAVESMASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c1-27-15-7-6-14(23-24-15)26-12-5-4-10(17(18,19)20)9-11(12)22-16(26)13-3-2-8-25(13)21/h2-9H,21H2,1H3.
What are the key properties of 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine?
2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine has a molecular weight of 374.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyrrol-1-amine is sourced from PubChem (CID 70938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).