2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

C15H16ClN5O2S — CID 55681666

IUPAC2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2c2nc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C15H16ClN5O2S/c1-20-9-17-15(13(20)16)24(22,23)21-8-4-7-12(21)14-18-10-5-2-3-6-11(10)19-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19)
InChIKeyGUFBRYMECNZJOJ-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 55681666) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
PubChem CID55681666
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCn1cnc(S(=O)(=O)N2CCCC2c2nc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C15H16ClN5O2S/c1-20-9-17-15(13(20)16)24(22,23)21-8-4-7-12(21)14-18-10-5-2-3-6-11(10)19-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19)
InChIKeyGUFBRYMECNZJOJ-UHFFFAOYSA-N
XLogP2.48
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
2-[1-(4-pyrimidin-5-ylphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 171916398
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 129424088
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 40920952
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 71853949
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
propyl 4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 86886087
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole (CID 55681666) is 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole is Cn1cnc(S(=O)(=O)N2CCCC2c2nc3ccccc3[nH]2)c1Cl.
What is the InChIKey of 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is GUFBRYMECNZJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-20-9-17-15(13(20)16)24(22,23)21-8-4-7-12(21)14-18-10-5-2-3-6-11(10)19-14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 365.85 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 55681666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).