1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide

C13H15N7O2S — CID 90589110

IUPAC1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1
InChIInChI=1S/C13H15N7O2S/c1-19-9-11(17-10-19)23(21,22)18-6-8-20-7-5-16-13(20)12-14-3-2-4-15-12/h2-5,7,9-10,18H,6,8H2,1H3
InChIKeyBPGVLSMPWXFSQN-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.05
Rot. Bonds6

About 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 90589110) has the molecular formula C13H15N7O2S and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
PubChem CID90589110
Molecular FormulaC13H15N7O2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Name1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1
InChIInChI=1S/C13H15N7O2S/c1-19-9-11(17-10-19)23(21,22)18-6-8-20-7-5-16-13(20)12-14-3-2-4-15-12/h2-5,7,9-10,18H,6,8H2,1H3
InChIKeyBPGVLSMPWXFSQN-UHFFFAOYSA-N
XLogP0.05
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide (CID 90589110) is 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1.
What is the InChIKey of 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is BPGVLSMPWXFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2S/c1-19-9-11(17-10-19)23(21,22)18-6-8-20-7-5-16-13(20)12-14-3-2-4-15-12/h2-5,7,9-10,18H,6,8H2,1H3.
What are the key properties of 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 333.38 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 90589110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).