N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

C29H32N4O2 — CID 16989409

IUPACN-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H32N4O2/c1-32(21-23-13-5-2-6-14-23)28(34)22-33-26-18-11-10-17-25(26)31-27(33)19-9-4-12-20-30-29(35)24-15-7-3-8-16-24/h2-3,5-8,10-11,13-18H,4,9,12,19-22H2,1H3,(H,30,35)
InChIKeyRHDCFJDOAVFGGB-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.84
Rot. Bonds11

About N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989409) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989409
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H32N4O2/c1-32(21-23-13-5-2-6-14-23)28(34)22-33-26-18-11-10-17-25(26)31-27(33)19-9-4-12-20-30-29(35)24-15-7-3-8-16-24/h2-3,5-8,10-11,13-18H,4,9,12,19-22H2,1H3,(H,30,35)
InChIKeyRHDCFJDOAVFGGB-UHFFFAOYSA-N
XLogP4.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.84
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

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
N-benzyl-2-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-methylacetamide
CID 16993297
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
CID 16979531
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990861

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989409) is N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is CN(Cc1ccccc1)C(=O)Cn1c(CCCCCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is RHDCFJDOAVFGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-32(21-23-13-5-2-6-14-23)28(34)22-33-26-18-11-10-17-25(26)31-27(33)19-9-4-12-20-30-29(35)24-15-7-3-8-16-24/h2-3,5-8,10-11,13-18H,4,9,12,19-22H2,1H3,(H,30,35).
What are the key properties of N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).