N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide

C24H34N4O2 — CID 16988267

IUPACN-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
SMILESC=CCN(CC=C)C(=O)Cn1c(CCCCCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C24H34N4O2/c1-4-12-23(29)25-16-11-7-8-15-22-26-20-13-9-10-14-21(20)28(22)19-24(30)27(17-5-2)18-6-3/h5-6,9-10,13-14H,2-4,7-8,11-12,15-19H2,1H3,(H,25,29)
InChIKeyKFHNVKCQXOFXQD-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.87
Rot. Bonds14

About N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide

N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide (PubChem CID 16988267) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide.

Molecular Properties

Compound NameN-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
PubChem CID16988267
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
SMILESC=CCN(CC=C)C(=O)Cn1c(CCCCCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C24H34N4O2/c1-4-12-23(29)25-16-11-7-8-15-22-26-20-13-9-10-14-21(20)28(22)19-24(30)27(17-5-2)18-6-3/h5-6,9-10,13-14H,2-4,7-8,11-12,15-19H2,1H3,(H,25,29)
InChIKeyKFHNVKCQXOFXQD-UHFFFAOYSA-N
XLogP3.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974510
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988182
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984990
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981235

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide?
The IUPAC name of N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide (CID 16988267) is N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide.
What is the SMILES notation for N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide?
The canonical SMILES for N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide is C=CCN(CC=C)C(=O)Cn1c(CCCCCNC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide?
The InChIKey is KFHNVKCQXOFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-4-12-23(29)25-16-11-7-8-15-22-26-20-13-9-10-14-21(20)28(22)19-24(30)27(17-5-2)18-6-3/h5-6,9-10,13-14H,2-4,7-8,11-12,15-19H2,1H3,(H,25,29).
What are the key properties of N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide?
N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide has a molecular weight of 410.56 g/mol, XLogP of 3.87, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide is sourced from PubChem (CID 16988267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).