N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

C27H34N4O2 — CID 16989415

IUPACN-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCC1CCN(C(=O)Cn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C27H34N4O2/c1-21-15-18-30(19-16-21)26(32)20-31-24-13-8-7-12-23(24)29-25(31)14-6-3-9-17-28-27(33)22-10-4-2-5-11-22/h2,4-5,7-8,10-13,21H,3,6,9,14-20H2,1H3,(H,28,33)
InChIKeyPTSDWSFHMPWRMZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.44
Rot. Bonds9

About N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989415) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989415
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCC1CCN(C(=O)Cn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C27H34N4O2/c1-21-15-18-30(19-16-21)26(32)20-31-24-13-8-7-12-23(24)29-25(31)14-6-3-9-17-28-27(33)22-10-4-2-5-11-22/h2,4-5,7-8,10-13,21H,3,6,9,14-20H2,1H3,(H,28,33)
InChIKeyPTSDWSFHMPWRMZ-UHFFFAOYSA-N
XLogP4.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966158
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964538
4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976813
2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983128
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979051
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
(E)-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980185
3,4,5-trimethoxy-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991194

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989415) is N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is CC1CCN(C(=O)Cn2c(CCCCCNC(=O)c3ccccc3)nc3ccccc32)CC1.
What is the InChIKey of N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is PTSDWSFHMPWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-21-15-18-30(19-16-21)26(32)20-31-24-13-8-7-12-23(24)29-25(31)14-6-3-9-17-28-27(33)22-10-4-2-5-11-22/h2,4-5,7-8,10-13,21H,3,6,9,14-20H2,1H3,(H,28,33).
What are the key properties of N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).