N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide

C27H36N4O3 — CID 16990861

IUPACN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H36N4O3/c1-4-5-18-30(2)26(32)20-31-24-15-9-8-14-23(24)29-25(31)16-7-6-10-17-28-27(33)21-12-11-13-22(19-21)34-3/h8-9,11-15,19H,4-7,10,16-18,20H2,1-3H3,(H,28,33)
InChIKeyFLZOIOOIGYZWHT-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.45
Rot. Bonds13

About N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide

N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide (PubChem CID 16990861) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
PubChem CID16990861
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H36N4O3/c1-4-5-18-30(2)26(32)20-31-24-15-9-8-14-23(24)29-25(31)16-7-6-10-17-28-27(33)21-12-11-13-22(19-21)34-3/h8-9,11-15,19H,4-7,10,16-18,20H2,1-3H3,(H,28,33)
InChIKeyFLZOIOOIGYZWHT-UHFFFAOYSA-N
XLogP4.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.45
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-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
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-ethylbutanamide
CID 16981083
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990794
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
N-[5-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990817
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983766
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991346

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide (CID 16990861) is N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide is CCCCN(C)C(=O)Cn1c(CCCCCNC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The InChIKey is FLZOIOOIGYZWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-4-5-18-30(2)26(32)20-31-24-15-9-8-14-23(24)29-25(31)16-7-6-10-17-28-27(33)21-12-11-13-22(19-21)34-3/h8-9,11-15,19H,4-7,10,16-18,20H2,1-3H3,(H,28,33).
What are the key properties of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide has a molecular weight of 464.61 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide is sourced from PubChem (CID 16990861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).