7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

C12H16ClN3O2 — CID 167742156

IUPAC7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(O)cccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H
InChIKeyMKLRXHNKMIBQRB-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds1

About 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride

7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (PubChem CID 167742156) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
PubChem CID167742156
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2c(O)cccc2n1C1CCNCC1
InChIInChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H
InChIKeyMKLRXHNKMIBQRB-UHFFFAOYSA-N
XLogP1.38
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride (CID 167742156) is 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2c(O)cccc2n1C1CCNCC1.
What is the InChIKey of 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is MKLRXHNKMIBQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8;/h1-3,8,13,16H,4-7H2,(H,14,17);1H.
What are the key properties of 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride?
7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 167742156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).