1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide

C22H24N4O3 — CID 112758699

IUPAC1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H24N4O3/c23-22(28)19-12-6-7-13-25(19)21(27)14-26-18-11-5-4-10-17(18)24-20(26)15-29-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H2,23,28)
InChIKeyBBQHFFPUVGEJJO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide

1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide (PubChem CID 112758699) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
PubChem CID112758699
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H24N4O3/c23-22(28)19-12-6-7-13-25(19)21(27)14-26-18-11-5-4-10-17(18)24-20(26)15-29-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H2,23,28)
InChIKeyBBQHFFPUVGEJJO-UHFFFAOYSA-N
XLogP2.48
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857621
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 25356200
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
(2S)-1-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365503
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide (CID 112758699) is 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide?
The InChIKey is BBQHFFPUVGEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c23-22(28)19-12-6-7-13-25(19)21(27)14-26-18-11-5-4-10-17(18)24-20(26)15-29-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H2,23,28).
What are the key properties of 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide?
1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 112758699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).