2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride

C12H17Cl2N3 — CID 131870823

IUPAC2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]c([C@H]3CCCNC3)nc2c1
InChIInChI=1S/C12H15N3.2ClH/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;;/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15);2*1H/t9-;;/m0../s1
InChIKeyCFPREZCBLXSHFZ-WWPIYYJJSA-N
MW274.19 g/mol
LogP2.87
Rot. Bonds1

About 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride

2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride (PubChem CID 131870823) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
PubChem CID131870823
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]c([C@H]3CCCNC3)nc2c1
InChIInChI=1S/C12H15N3.2ClH/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;;/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15);2*1H/t9-;;/m0../s1
InChIKeyCFPREZCBLXSHFZ-WWPIYYJJSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
6-piperidin-3-yl-5H-imidazo[4,5-c]pyridazine
CID 112710709
3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
CID 71641343
2-(piperidin-3-ylmethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 71637072
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride?
The IUPAC name of 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride (CID 131870823) is 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1ccc2[nH]c([C@H]3CCCNC3)nc2c1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride?
The InChIKey is CFPREZCBLXSHFZ-WWPIYYJJSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;;/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15);2*1H/t9-;;/m0../s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride?
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride has a molecular weight of 274.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 131870823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).