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

C23H36N4O2 — CID 16981083

IUPACN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
SMILESCCCCN(C)C(=O)Cn1c(CCCNC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C23H36N4O2/c1-5-8-16-26(4)22(28)17-27-20-13-10-9-12-19(20)25-21(27)14-11-15-24-23(29)18(6-2)7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3,(H,24,29)
InChIKeyYTCASTHQIUTYKW-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.78
Rot. Bonds12

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

N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide (PubChem CID 16981083) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
PubChem CID16981083
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
SMILESCCCCN(C)C(=O)Cn1c(CCCNC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C23H36N4O2/c1-5-8-16-26(4)22(28)17-27-20-13-10-9-12-19(20)25-21(27)14-11-15-24-23(29)18(6-2)7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3,(H,24,29)
InChIKeyYTCASTHQIUTYKW-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.78
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-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981079
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?
The IUPAC name of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide (CID 16981083) is N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide.
What is the SMILES notation for N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?
The canonical SMILES for N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide is CCCCN(C)C(=O)Cn1c(CCCNC(=O)C(CC)CC)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?
The InChIKey is YTCASTHQIUTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-5-8-16-26(4)22(28)17-27-20-13-10-9-12-19(20)25-21(27)14-11-15-24-23(29)18(6-2)7-3/h9-10,12-13,18H,5-8,11,14-17H2,1-4H3,(H,24,29).
What are the key properties of N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide?
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide has a molecular weight of 400.57 g/mol, XLogP of 3.78, 12 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-ethylbutanamide is sourced from PubChem (CID 16981083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).