2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one

C22H24ClN7OS — CID 30639392

IUPAC2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
SMILESCN1CCN([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)c2cccs2)CC1
InChIInChI=1S/C22H24ClN7OS/c1-28-8-10-29(11-9-28)18(19-7-4-12-32-19)14-24-17-13-25-30(21(31)20(17)23)22-26-15-5-2-3-6-16(15)27-22/h2-7,12-13,18,24H,8-11,14H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyLJFXKUYRXFUDQR-GOSISDBHSA-N
MW470.00 g/mol
LogP3.22
Rot. Bonds6

About 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one

2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one (PubChem CID 30639392) has the molecular formula C22H24ClN7OS and a molecular weight of 470.00 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
PubChem CID30639392
Molecular FormulaC22H24ClN7OS
Molecular Weight470.00 g/mol
Exact Mass469.15
IUPAC Name2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
SMILESCN1CCN([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)c2cccs2)CC1
InChIInChI=1S/C22H24ClN7OS/c1-28-8-10-29(11-9-28)18(19-7-4-12-32-19)14-24-17-13-25-30(21(31)20(17)23)22-26-15-5-2-3-6-16(15)27-22/h2-7,12-13,18,24H,8-11,14H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyLJFXKUYRXFUDQR-GOSISDBHSA-N
XLogP3.22
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-phenylpropylamino)pyridazin-3-one
CID 23474386
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]pyridazin-3-one
CID 9292394
2-(1H-benzimidazol-2-yl)-4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pyridazin-3-one
CID 39963678
2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one
CID 23474356
5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
CID 94818392
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one
CID 23474369
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
4-chloro-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-phenylpyridazin-3-one
CID 9195368

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one (CID 30639392) is 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one is CN1CCN([C@H](CNc2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)c2cccs2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one?
The InChIKey is LJFXKUYRXFUDQR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24ClN7OS/c1-28-8-10-29(11-9-28)18(19-7-4-12-32-19)14-24-17-13-25-30(21(31)20(17)23)22-26-15-5-2-3-6-16(15)27-22/h2-7,12-13,18,24H,8-11,14H2,1H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one?
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one has a molecular weight of 470.00 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one is sourced from PubChem (CID 30639392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).