3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C25H23ClN4O2 — CID 17008347

IUPAC3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-2-29(20-11-4-3-5-12-20)24(31)17-30-22-14-7-6-13-21(22)28-23(30)16-27-25(32)18-9-8-10-19(26)15-18/h3-15H,2,16-17H2,1H3,(H,27,32)
InChIKeyRBROXFAHONSLIM-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.67
Rot. Bonds7

About 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008347) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008347
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-2-29(20-11-4-3-5-12-20)24(31)17-30-22-14-7-6-13-21(22)28-23(30)16-27-25(32)18-9-8-10-19(26)15-18/h3-15H,2,16-17H2,1H3,(H,27,32)
InChIKeyRBROXFAHONSLIM-UHFFFAOYSA-N
XLogP4.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide 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-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009275
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978024
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17008347) is 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is CCN(C(=O)Cn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is RBROXFAHONSLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-2-29(20-11-4-3-5-12-20)24(31)17-30-22-14-7-6-13-21(22)28-23(30)16-27-25(32)18-9-8-10-19(26)15-18/h3-15H,2,16-17H2,1H3,(H,27,32).
What are the key properties of 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).