2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride

C11H14ClN3OS — CID 71646008

IUPAC2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
SMILESCl.O=S(c1nc2ccccc2[nH]1)C1CCNC1
InChIInChI=1S/C11H13N3OS.ClH/c15-16(8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11;/h1-4,8,12H,5-7H2,(H,13,14);1H
InChIKeyRXSMBHCOUGRYIB-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.45
Rot. Bonds2

About 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride

2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride (PubChem CID 71646008) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
PubChem CID71646008
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
SMILESCl.O=S(c1nc2ccccc2[nH]1)C1CCNC1
InChIInChI=1S/C11H13N3OS.ClH/c15-16(8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11;/h1-4,8,12H,5-7H2,(H,13,14);1H
InChIKeyRXSMBHCOUGRYIB-UHFFFAOYSA-N
XLogP1.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-benzothiazole;hydrochloride
CID 71645444
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-pyrrolidin-3-ylsulfinyl-1,3-benzothiazole
CID 71646013
2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97165838
3-(benzenesulfinyl)pyrrolidine
CID 84666467
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
1H-benzimidazole-2-sulfinate
CID 23000784
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]-1,3-benzoxazole
CID 97166130
2-piperidin-3-ylsulfinyl-1,3-benzoxazole
CID 71645989
N-cyclohexyl-1H-benzimidazole-2-sulfinamide
CID 156779597

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride (CID 71646008) is 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride is Cl.O=S(c1nc2ccccc2[nH]1)C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride?
The InChIKey is RXSMBHCOUGRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS.ClH/c15-16(8-5-6-12-7-8)11-13-9-3-1-2-4-10(9)14-11;/h1-4,8,12H,5-7H2,(H,13,14);1H.
What are the key properties of 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride?
2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 71646008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).