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

C12H17N3O — CID 10632676

IUPACpyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCCC1
InChIInChI=1S/C12H17N3O/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)
InChIKeyNUWUXUSDRJUJDG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds1

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

pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 10632676) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID10632676
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCCC1
InChIInChI=1S/C12H17N3O/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)
InChIKeyNUWUXUSDRJUJDG-UHFFFAOYSA-N
XLogP1.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 10632676) is pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is O=C(C1CCc2nc[nH]c2C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is NUWUXUSDRJUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/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).
What are the key properties of pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
pyrrolidin-1-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.14, 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 is sourced from PubChem (CID 10632676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).