1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride

C11H19Cl2N3 — CID 86775661

IUPAC1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
SMILESCl.Cl.c1nc2c(n1C1CCNC1)CCCC2
InChIInChI=1S/C11H17N3.2ClH/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9;;/h8-9,12H,1-7H2;2*1H
InChIKeyMUTCRAHYQNMGGZ-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.14
Rot. Bonds1

About 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride

1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride (PubChem CID 86775661) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
PubChem CID86775661
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride
SMILESCl.Cl.c1nc2c(n1C1CCNC1)CCCC2
InChIInChI=1S/C11H17N3.2ClH/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9;;/h8-9,12H,1-7H2;2*1H
InChIKeyMUTCRAHYQNMGGZ-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride (CID 86775661) is 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride is Cl.Cl.c1nc2c(n1C1CCNC1)CCCC2.
What is the InChIKey of 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
The InChIKey is MUTCRAHYQNMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9;;/h8-9,12H,1-7H2;2*1H.
What are the key properties of 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride?
1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole;dihydrochloride is sourced from PubChem (CID 86775661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).