N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride

C21H26Cl2N4 — CID 19040897

IUPACN-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride
SMILESCCN(CC)Cc1cn2c3ccccc3n(Cc3ccccc3)c2n1.Cl.Cl
InChIInChI=1S/C21H24N4.2ClH/c1-3-23(4-2)15-18-16-25-20-13-9-8-12-19(20)24(21(25)22-18)14-17-10-6-5-7-11-17;;/h5-13,16H,3-4,14-15H2,1-2H3;2*1H
InChIKeyBVUZAVRYJXIHBP-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.02
Rot. Bonds6

About N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride

N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride (PubChem CID 19040897) has the molecular formula C21H26Cl2N4 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride
PubChem CID19040897
Molecular FormulaC21H26Cl2N4
Molecular Weight405.37 g/mol
Exact Mass404.15
IUPAC NameN-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride
SMILESCCN(CC)Cc1cn2c3ccccc3n(Cc3ccccc3)c2n1.Cl.Cl
InChIInChI=1S/C21H24N4.2ClH/c1-3-23(4-2)15-18-16-25-20-13-9-8-12-19(20)24(21(25)22-18)14-17-10-6-5-7-11-17;;/h5-13,16H,3-4,14-15H2,1-2H3;2*1H
InChIKeyBVUZAVRYJXIHBP-UHFFFAOYSA-N
XLogP5.02
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride?
The IUPAC name of N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride (CID 19040897) is N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride.
What is the SMILES notation for N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride?
The canonical SMILES for N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride is CCN(CC)Cc1cn2c3ccccc3n(Cc3ccccc3)c2n1.Cl.Cl.
What is the InChIKey of N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride?
The InChIKey is BVUZAVRYJXIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.2ClH/c1-3-23(4-2)15-18-16-25-20-13-9-8-12-19(20)24(21(25)22-18)14-17-10-6-5-7-11-17;;/h5-13,16H,3-4,14-15H2,1-2H3;2*1H.
What are the key properties of N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride?
N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride is sourced from PubChem (CID 19040897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).