1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride

C12H21Cl2N3 — CID 86767570

IUPAC1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
SMILESCl.Cl.Cn1c(C2CCCN2)nc2c1CCCC2
InChIInChI=1S/C12H19N3.2ClH/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10;;/h10,13H,2-8H2,1H3;2*1H
InChIKeyRKLWQIJYWBDUAA-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride

1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride (PubChem CID 86767570) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
PubChem CID86767570
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
SMILESCl.Cl.Cn1c(C2CCCN2)nc2c1CCCC2
InChIInChI=1S/C12H19N3.2ClH/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10;;/h10,13H,2-8H2,1H3;2*1H
InChIKeyRKLWQIJYWBDUAA-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The IUPAC name of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride (CID 86767570) is 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride.
What is the SMILES notation for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The canonical SMILES for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride is Cl.Cl.Cn1c(C2CCCN2)nc2c1CCCC2.
What is the InChIKey of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The InChIKey is RKLWQIJYWBDUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10;;/h10,13H,2-8H2,1H3;2*1H.
What are the key properties of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride is sourced from PubChem (CID 86767570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).