2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole

C12H15N3O2S — CID 97165961

IUPAC2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
SMILESO=S(=O)(C[C@@H]1CCCN1)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2S/c16-18(17,8-9-4-3-7-13-9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyXDADLZVNSPFVFD-VIFPVBQESA-N
MW265.34 g/mol
LogP1.09
Rot. Bonds3

About 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole

2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole (PubChem CID 97165961) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
PubChem CID97165961
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
SMILESO=S(=O)(C[C@@H]1CCCN1)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2S/c16-18(17,8-9-4-3-7-13-9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyXDADLZVNSPFVFD-VIFPVBQESA-N
XLogP1.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-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-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]-1H-benzimidazole
CID 97166022
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106600093
4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
2-(cyclopropylmethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368397
2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
CID 22272600
N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
CID 71641343

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole?
The IUPAC name of 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole (CID 97165961) is 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole?
The canonical SMILES for 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole is O=S(=O)(C[C@@H]1CCCN1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole?
The InChIKey is XDADLZVNSPFVFD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-18(17,8-9-4-3-7-13-9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole?
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole has a molecular weight of 265.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole is sourced from PubChem (CID 97165961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).