1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol

C16H15FN4O — CID 135186385

IUPAC1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol
SMILESCC(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C16H15FN4O/c1-9(22)14-6-10(8-18-20-14)16-19-13-5-2-11(17)7-15(13)21(16)12-3-4-12/h2,5-9,12,22H,3-4H2,1H3
InChIKeyOOLJOWHTEOGCCA-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.02
Rot. Bonds3

About 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol

1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol (PubChem CID 135186385) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol
PubChem CID135186385
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol
SMILESCC(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C16H15FN4O/c1-9(22)14-6-10(8-18-20-14)16-19-13-5-2-11(17)7-15(13)21(16)12-3-4-12/h2,5-9,12,22H,3-4H2,1H3
InChIKeyOOLJOWHTEOGCCA-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol
CID 135186331
1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
CID 155530085
N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide
CID 135186453
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
CID 137011267
O-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]-2,2,2-trifluoroethyl] methylsulfanylmethanethioate
CID 135186472
1-cyclopropyl-6-isocyano-2-(6-methylpyridazin-4-yl)benzimidazole
CID 140883856
1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole
CID 135186230
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659
2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one
CID 159892102
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol?
The IUPAC name of 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol (CID 135186385) is 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol.
What is the SMILES notation for 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol?
The canonical SMILES for 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol is CC(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1.
What is the InChIKey of 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol?
The InChIKey is OOLJOWHTEOGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-9(22)14-6-10(8-18-20-14)16-19-13-5-2-11(17)7-15(13)21(16)12-3-4-12/h2,5-9,12,22H,3-4H2,1H3.
What are the key properties of 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol?
1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol has a molecular weight of 298.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol is sourced from PubChem (CID 135186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).