5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one

C16H19N5O — CID 53496350

IUPAC5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)CNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1
InChIInChI=1S/C16H19N5O/c1-16(2,3)9-17-14-7-6-11(20-21-14)10-4-5-12-13(8-10)19-15(22)18-12/h4-8H,9H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeyVEXMEBWRVDRRRD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.77
Rot. Bonds3

About 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one

5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 53496350) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID53496350
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)CNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1
InChIInChI=1S/C16H19N5O/c1-16(2,3)9-17-14-7-6-11(20-21-14)10-4-5-12-13(8-10)19-15(22)18-12/h4-8H,9H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeyVEXMEBWRVDRRRD-UHFFFAOYSA-N
XLogP2.77
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-3H-1-benzofuran-2-one
CID 147353801
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)pyridazin-3-amine
CID 140812284
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
CID 116970880
2-fluoro-5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzonitrile
CID 67452272
2,2-dimethyl-3-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971527
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116881411

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 53496350) is 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)(C)CNc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)nn1.
What is the InChIKey of 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VEXMEBWRVDRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)9-17-14-7-6-11(20-21-14)10-4-5-12-13(8-10)19-15(22)18-12/h4-8H,9H2,1-3H3,(H,17,21)(H2,18,19,22).
What are the key properties of 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one?
5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 53496350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).