N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride

C19H23ClN4O2 — CID 23724385

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride
SMILESCN(C)CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-22(2)9-10-23-16-6-4-3-5-15(16)21-19(23)20-12-14-7-8-17-18(11-14)25-13-24-17;/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyFDFVOMRDDXIYBP-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.36
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride

N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride (PubChem CID 23724385) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride
PubChem CID23724385
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride
SMILESCN(C)CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-22(2)9-10-23-16-6-4-3-5-15(16)21-19(23)20-12-14-7-8-17-18(11-14)25-13-24-17;/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyFDFVOMRDDXIYBP-UHFFFAOYSA-N
XLogP3.36
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride (CID 23724385) is N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride is CN(C)CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21.Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride?
The InChIKey is FDFVOMRDDXIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-22(2)9-10-23-16-6-4-3-5-15(16)21-19(23)20-12-14-7-8-17-18(11-14)25-13-24-17;/h3-8,11H,9-10,12-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride?
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 23724385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).