2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide

C22H34N4O2 — CID 16987942

IUPAC2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C22H34N4O2/c1-4-15-25(16-5-2)22(28)17-26-20-12-9-8-11-19(20)24-21(26)13-7-6-10-14-23-18(3)27/h8-9,11-12H,4-7,10,13-17H2,1-3H3,(H,23,27)
InChIKeyJZYGEKVNJVJAHP-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.53
Rot. Bonds12

About 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 16987942) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
PubChem CID16987942
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21
InChIInChI=1S/C22H34N4O2/c1-4-15-25(16-5-2)22(28)17-26-20-12-9-8-11-19(20)24-21(26)13-7-6-10-14-23-18(3)27/h8-9,11-12H,4-7,10,13-17H2,1-3H3,(H,23,27)
InChIKeyJZYGEKVNJVJAHP-UHFFFAOYSA-N
XLogP3.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.53
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-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide (CID 16987942) is 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(CCCCCNC(C)=O)nc2ccccc21.
What is the InChIKey of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is JZYGEKVNJVJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-15-25(16-5-2)22(28)17-26-20-12-9-8-11-19(20)24-21(26)13-7-6-10-14-23-18(3)27/h8-9,11-12H,4-7,10,13-17H2,1-3H3,(H,23,27).
What are the key properties of 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide?
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 386.54 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 16987942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).