pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride

C12H18ClN3O — CID 18985210

IUPACpyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCc2nc[nH]c2C1)N1CCCC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(15-5-1-2-6-15)9-3-4-10-11(7-9)14-8-13-10;/h8-9H,1-7H2,(H,13,14);1H
InChIKeyVIQQUDRWPRGFBZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.56
Rot. Bonds1

About pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride

pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride (PubChem CID 18985210) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride
PubChem CID18985210
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCc2nc[nH]c2C1)N1CCCC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(15-5-1-2-6-15)9-3-4-10-11(7-9)14-8-13-10;/h8-9H,1-7H2,(H,13,14);1H
InChIKeyVIQQUDRWPRGFBZ-UHFFFAOYSA-N
XLogP1.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;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 pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride?
The IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride (CID 18985210) is pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride?
The canonical SMILES for pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride is Cl.O=C(C1CCc2nc[nH]c2C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride?
The InChIKey is VIQQUDRWPRGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c16-12(15-5-1-2-6-15)9-3-4-10-11(7-9)14-8-13-10;/h8-9H,1-7H2,(H,13,14);1H.
What are the key properties of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride?
pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 18985210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).