N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide

C23H18BrClN4O2 — CID 17029564

IUPACN-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
SMILESO=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrClN4O2/c24-16-7-11-18(12-8-16)27-22(30)14-29-20-4-2-1-3-19(20)28-21(29)13-26-23(31)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,31)(H,27,30)
InChIKeyKPOYYNNUQRFGEW-UHFFFAOYSA-N
MW497.78 g/mol
LogP5.02
Rot. Bonds6

About N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide

N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide (PubChem CID 17029564) has the molecular formula C23H18BrClN4O2 and a molecular weight of 497.78 g/mol. Its IUPAC name is N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
PubChem CID17029564
Molecular FormulaC23H18BrClN4O2
Molecular Weight497.78 g/mol
Exact Mass496.03
IUPAC NameN-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
SMILESO=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrClN4O2/c24-16-7-11-18(12-8-16)27-22(30)14-29-20-4-2-1-3-19(20)28-21(29)13-26-23(31)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,31)(H,27,30)
InChIKeyKPOYYNNUQRFGEW-UHFFFAOYSA-N
XLogP5.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.78
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide 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-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-chlorobenzamide
CID 17031656
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide?
The IUPAC name of N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide (CID 17029564) is N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide?
The canonical SMILES for N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide is O=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Br)cc1.
What is the InChIKey of N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide?
The InChIKey is KPOYYNNUQRFGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN4O2/c24-16-7-11-18(12-8-16)27-22(30)14-29-20-4-2-1-3-19(20)28-21(29)13-26-23(31)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,31)(H,27,30).
What are the key properties of N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide?
N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide has a molecular weight of 497.78 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 17029564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).