N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride

C23H30Cl2N4O — CID 171325152

IUPACN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCN(CCn1cnc2ccccc21)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4O.2ClH/c1-26(12-13-27-17-25-21-4-2-3-5-22(21)27)23(28)15-19-8-6-18(7-9-19)14-20-10-11-24-16-20;;/h2-9,17,20,24H,10-16H2,1H3;2*1H
InChIKeyJOUBQTVMBVHUGB-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride (PubChem CID 171325152) has the molecular formula C23H30Cl2N4O and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
PubChem CID171325152
Molecular FormulaC23H30Cl2N4O
Molecular Weight449.43 g/mol
Exact Mass448.18
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCN(CCn1cnc2ccccc21)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C23H28N4O.2ClH/c1-26(12-13-27-17-25-21-4-2-3-5-22(21)27)23(28)15-19-8-6-18(7-9-19)14-20-10-11-24-16-20;;/h2-9,17,20,24H,10-16H2,1H3;2*1H
InChIKeyJOUBQTVMBVHUGB-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707098
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171712694
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707924
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 146045162
N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707004
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 146041516
2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
CID 146040289
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride (CID 171325152) is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride is CN(CCn1cnc2ccccc21)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is JOUBQTVMBVHUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.2ClH/c1-26(12-13-27-17-25-21-4-2-3-5-22(21)27)23(28)15-19-8-6-18(7-9-19)14-20-10-11-24-16-20;;/h2-9,17,20,24H,10-16H2,1H3;2*1H.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 449.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 171325152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).