5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C18H19ClN6O3S — CID 133432444

IUPAC5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)nc(C5CC5)n4)CC3)cc2[nH]1
InChIInChI=1S/C18H19ClN6O3S/c19-15-10-16(23-17(22-15)11-1-2-11)24-5-7-25(8-6-24)29(27,28)12-3-4-13-14(9-12)21-18(26)20-13/h3-4,9-11H,1-2,5-8H2,(H2,20,21,26)
InChIKeyUDDYKIPMCYTFEB-UHFFFAOYSA-N
MW434.91 g/mol
LogP1.69
Rot. Bonds4

About 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 133432444) has the molecular formula C18H19ClN6O3S and a molecular weight of 434.91 g/mol. Its IUPAC name is 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID133432444
Molecular FormulaC18H19ClN6O3S
Molecular Weight434.91 g/mol
Exact Mass434.09
IUPAC Name5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)nc(C5CC5)n4)CC3)cc2[nH]1
InChIInChI=1S/C18H19ClN6O3S/c19-15-10-16(23-17(22-15)11-1-2-11)24-5-7-25(8-6-24)29(27,28)12-3-4-13-14(9-12)21-18(26)20-13/h3-4,9-11H,1-2,5-8H2,(H2,20,21,26)
InChIKeyUDDYKIPMCYTFEB-UHFFFAOYSA-N
XLogP1.69
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146146706
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56585060
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
6-methyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146125555
2,6-dimethyl-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 133396526
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazine-2,6-dione
CID 80951742
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
5-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 31316655
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 133432444) is 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)nc(C5CC5)n4)CC3)cc2[nH]1.
What is the InChIKey of 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UDDYKIPMCYTFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3S/c19-15-10-16(23-17(22-15)11-1-2-11)24-5-7-25(8-6-24)29(27,28)12-3-4-13-14(9-12)21-18(26)20-13/h3-4,9-11H,1-2,5-8H2,(H2,20,21,26).
What are the key properties of 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 434.91 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 133432444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).