N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide

C25H32N4O3 — CID 16984220

IUPACN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H32N4O3/c1-4-5-17-28(2)24(30)18-29-22-10-7-6-9-21(22)27-23(29)11-8-16-26-25(31)19-12-14-20(32-3)15-13-19/h6-7,9-10,12-15H,4-5,8,11,16-18H2,1-3H3,(H,26,31)
InChIKeyNFWUETZMDSVVIF-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.67
Rot. Bonds11

About N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide

N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide (PubChem CID 16984220) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
PubChem CID16984220
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H32N4O3/c1-4-5-17-28(2)24(30)18-29-22-10-7-6-9-21(22)27-23(29)11-8-16-26-25(31)19-12-14-20(32-3)15-13-19/h6-7,9-10,12-15H,4-5,8,11,16-18H2,1-3H3,(H,26,31)
InChIKeyNFWUETZMDSVVIF-UHFFFAOYSA-N
XLogP3.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.67
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-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990861
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991346
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide (CID 16984220) is N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide is CCCCN(C)C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The InChIKey is NFWUETZMDSVVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-5-17-28(2)24(30)18-29-22-10-7-6-9-21(22)27-23(29)11-8-16-26-25(31)19-12-14-20(32-3)15-13-19/h6-7,9-10,12-15H,4-5,8,11,16-18H2,1-3H3,(H,26,31).
What are the key properties of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide has a molecular weight of 436.56 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide is sourced from PubChem (CID 16984220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).