2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride

C11H19Cl2N3 — CID 71692500

IUPAC2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride
SMILESC1CCc2[nH]c(C3CCCN3)nc2C1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10;;/h10,12H,1-7H2,(H,13,14);2*1H
InChIKeyPWPRNFUOHGNDDB-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.56
Rot. Bonds1

About 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride

2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride (PubChem CID 71692500) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride
PubChem CID71692500
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride
SMILESC1CCc2[nH]c(C3CCCN3)nc2C1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10;;/h10,12H,1-7H2,(H,13,14);2*1H
InChIKeyPWPRNFUOHGNDDB-UHFFFAOYSA-N
XLogP2.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride (CID 71692500) is 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride is C1CCc2[nH]c(C3CCCN3)nc2C1.Cl.Cl.
What is the InChIKey of 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride?
The InChIKey is PWPRNFUOHGNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10;;/h10,12H,1-7H2,(H,13,14);2*1H.
What are the key properties of 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride?
2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 71692500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).