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

C21H28N4O2 — CID 16974510

IUPACN-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESC=CCN(CC=C)C(=O)Cn1c(CCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C21H28N4O2/c1-4-9-20(26)22-13-12-19-23-17-10-7-8-11-18(17)25(19)16-21(27)24(14-5-2)15-6-3/h5-8,10-11H,2-4,9,12-16H2,1H3,(H,22,26)
InChIKeyDYRMHDGRDMQNRA-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds11

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

N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974510) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974510
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESC=CCN(CC=C)C(=O)Cn1c(CCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C21H28N4O2/c1-4-9-20(26)22-13-12-19-23-17-10-7-8-11-18(17)25(19)16-21(27)24(14-5-2)15-6-3/h5-8,10-11H,2-4,9,12-16H2,1H3,(H,22,26)
InChIKeyDYRMHDGRDMQNRA-UHFFFAOYSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988267
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
2-[2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16971361
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
(E)-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980168

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide (CID 16974510) is N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide is C=CCN(CC=C)C(=O)Cn1c(CCNC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is DYRMHDGRDMQNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-9-20(26)22-13-12-19-23-17-10-7-8-11-18(17)25(19)16-21(27)24(14-5-2)15-6-3/h5-8,10-11H,2-4,9,12-16H2,1H3,(H,22,26).
What are the key properties of N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 368.48 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).