(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride

C10H19Cl2N3 — CID 3024563

IUPAC(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride
SMILESCCn1cnc2c1CCC(CN)C2.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;;/h7-8H,2-6,11H2,1H3;2*1H
InChIKeyCYHPUTSXVNGUTQ-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.81
Rot. Bonds2

About (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride

(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride (PubChem CID 3024563) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride
PubChem CID3024563
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride
SMILESCCn1cnc2c1CCC(CN)C2.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;;/h7-8H,2-6,11H2,1H3;2*1H
InChIKeyCYHPUTSXVNGUTQ-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride (CID 3024563) is (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride is CCn1cnc2c1CCC(CN)C2.Cl.Cl.
What is the InChIKey of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride?
The InChIKey is CYHPUTSXVNGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;;/h7-8H,2-6,11H2,1H3;2*1H.
What are the key properties of (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride?
(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 3024563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).