1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole

C17H20N6O2S — CID 67971270

IUPAC1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
SMILESCn1c(-c2ccnc(N3CCN(S(C)(=O)=O)CC3)n2)nc2ccccc21
InChIInChI=1S/C17H20N6O2S/c1-21-15-6-4-3-5-13(15)19-16(21)14-7-8-18-17(20-14)22-9-11-23(12-10-22)26(2,24)25/h3-8H,9-12H2,1-2H3
InChIKeyRZWJDLAOXQSKQU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.11
Rot. Bonds3

About 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole

1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole (PubChem CID 67971270) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
PubChem CID67971270
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
SMILESCn1c(-c2ccnc(N3CCN(S(C)(=O)=O)CC3)n2)nc2ccccc21
InChIInChI=1S/C17H20N6O2S/c1-21-15-6-4-3-5-13(15)19-16(21)14-7-8-18-17(20-14)22-9-11-23(12-10-22)26(2,24)25/h3-8H,9-12H2,1-2H3
InChIKeyRZWJDLAOXQSKQU-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
(3S)-1-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-3-ol
CID 95131017
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 134709074
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46082145
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole (CID 67971270) is 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole is Cn1c(-c2ccnc(N3CCN(S(C)(=O)=O)CC3)n2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole?
The InChIKey is RZWJDLAOXQSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-21-15-6-4-3-5-13(15)19-16(21)14-7-8-18-17(20-14)22-9-11-23(12-10-22)26(2,24)25/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole?
1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole has a molecular weight of 372.45 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 67971270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).