N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

C23H32Cl2N4O2 — CID 119658469

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-17(2)19(24)13-14-26(3)23(28)15-27-21-12-8-7-11-20(21)25-22(27)16-29-18-9-5-4-6-10-18;;/h4-12,17,19H,13-16,24H2,1-3H3;2*1H
InChIKeyHCGVKIBLRVKLEC-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.29
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (PubChem CID 119658469) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
PubChem CID119658469
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-17(2)19(24)13-14-26(3)23(28)15-27-21-12-8-7-11-20(21)25-22(27)16-29-18-9-5-4-6-10-18;;/h4-12,17,19H,13-16,24H2,1-3H3;2*1H
InChIKeyHCGVKIBLRVKLEC-UHFFFAOYSA-N
XLogP4.29
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 60600997
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 37207886
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998698
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (CID 119658469) is N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The InChIKey is HCGVKIBLRVKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.2ClH/c1-17(2)19(24)13-14-26(3)23(28)15-27-21-12-8-7-11-20(21)25-22(27)16-29-18-9-5-4-6-10-18;;/h4-12,17,19H,13-16,24H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride has a molecular weight of 467.44 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119658469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).