N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

C23H28N4O3 — CID 16982026

IUPACN-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESCC1CCCCN1C(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H28N4O3/c1-17-8-4-5-14-26(17)22(28)16-27-19-10-3-2-9-18(19)25-21(27)12-6-13-24-23(29)20-11-7-15-30-20/h2-3,7,9-11,15,17H,4-6,8,12-14,16H2,1H3,(H,24,29)
InChIKeyPDEYGWHZOIYJFM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.39
Rot. Bonds7

About N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (PubChem CID 16982026) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
PubChem CID16982026
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESCC1CCCCN1C(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H28N4O3/c1-17-8-4-5-14-26(17)22(28)16-27-19-10-3-2-9-18(19)25-21(27)12-6-13-24-23(29)20-11-7-15-30-20/h2-3,7,9-11,15,17H,4-6,8,12-14,16H2,1H3,(H,24,29)
InChIKeyPDEYGWHZOIYJFM-UHFFFAOYSA-N
XLogP3.39
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990062
N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992654
2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994112
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977264
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (CID 16982026) is N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is CC1CCCCN1C(=O)Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The InChIKey is PDEYGWHZOIYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-8-4-5-14-26(17)22(28)16-27-19-10-3-2-9-18(19)25-21(27)12-6-13-24-23(29)20-11-7-15-30-20/h2-3,7,9-11,15,17H,4-6,8,12-14,16H2,1H3,(H,24,29).
What are the key properties of N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 16982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).