1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone

C21H23ClN4O2 — CID 119380723

IUPAC1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
SMILESNC1CCCN(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1
InChIInChI=1S/C21H23ClN4O2/c22-15-7-9-17(10-8-15)28-14-20-24-18-5-1-2-6-19(18)26(20)13-21(27)25-11-3-4-16(23)12-25/h1-2,5-10,16H,3-4,11-14,23H2
InChIKeyRLUFSOXADWZCTP-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone

1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone (PubChem CID 119380723) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
PubChem CID119380723
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
SMILESNC1CCCN(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1
InChIInChI=1S/C21H23ClN4O2/c22-15-7-9-17(10-8-15)28-14-20-24-18-5-1-2-6-19(18)26(20)13-21(27)25-11-3-4-16(23)12-25/h1-2,5-10,16H,3-4,11-14,23H2
InChIKeyRLUFSOXADWZCTP-UHFFFAOYSA-N
XLogP3.22
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone with MolForge

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 25356200
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
CID 112758699
tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]piperidine-1-carboxylate
CID 10624700
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 112803907
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone (CID 119380723) is 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone is NC1CCCN(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone?
The InChIKey is RLUFSOXADWZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-15-7-9-17(10-8-15)28-14-20-24-18-5-1-2-6-19(18)26(20)13-21(27)25-11-3-4-16(23)12-25/h1-2,5-10,16H,3-4,11-14,23H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone?
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone has a molecular weight of 398.89 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 119380723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).