1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine

C13H15BrN4O2S — CID 175695243

IUPAC1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H15BrN4O2S/c14-11-4-3-10(18-8-5-16-13(18)15)9-12(11)21(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H2,15,16)
InChIKeyYSTHPRXRPVXCFH-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine

1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine (PubChem CID 175695243) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine
PubChem CID175695243
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H15BrN4O2S/c14-11-4-3-10(18-8-5-16-13(18)15)9-12(11)21(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H2,15,16)
InChIKeyYSTHPRXRPVXCFH-UHFFFAOYSA-N
XLogP2.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine (CID 175695243) is 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine is Nc1nccn1-c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine?
The InChIKey is YSTHPRXRPVXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c14-11-4-3-10(18-8-5-16-13(18)15)9-12(11)21(19,20)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2,(H2,15,16).
What are the key properties of 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine?
1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine has a molecular weight of 371.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)imidazol-2-amine is sourced from PubChem (CID 175695243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).