3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C22H24N4O2 — CID 17029762

IUPAC3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC=CCNC(=O)Cn1c(C(C)NC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-4-12-23-20(27)14-26-19-11-6-5-10-18(19)25-21(26)16(3)24-22(28)17-9-7-8-15(2)13-17/h4-11,13,16H,1,12,14H2,2-3H3,(H,23,27)(H,24,28)
InChIKeyNNELGLPQDGNOEV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds7

About 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029762) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17029762
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC=CCNC(=O)Cn1c(C(C)NC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-4-12-23-20(27)14-26-19-11-6-5-10-18(19)25-21(26)16(3)24-22(28)17-9-7-8-15(2)13-17/h4-11,13,16H,1,12,14H2,2-3H3,(H,23,27)(H,24,28)
InChIKeyNNELGLPQDGNOEV-UHFFFAOYSA-N
XLogP3.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029626
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029726
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17029754
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
3-methyl-N-[3-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031571
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029762) is 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is C=CCNC(=O)Cn1c(C(C)NC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NNELGLPQDGNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-12-23-20(27)14-26-19-11-6-5-10-18(19)25-21(26)16(3)24-22(28)17-9-7-8-15(2)13-17/h4-11,13,16H,1,12,14H2,2-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).