2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C28H24Cl3N7O3 — CID 121399159

IUPAC2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCNC(=O)c1cccc([C@H](CNC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)c2nc3cc(OC)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C28H24Cl3N7O3/c1-14-34-13-38(37-14)17-8-20(30)25(21(31)9-17)28(40)33-12-18(15-5-4-6-16(7-15)27(39)32-2)26-35-22-10-19(29)24(41-3)11-23(22)36-26/h4-11,13,18H,12H2,1-3H3,(H,32,39)(H,33,40)(H,35,36)/t18-/m0/s1
InChIKeyDRWWACHHWGAEAN-SFHVURJKSA-N
MW612.91 g/mol
LogP5.34
Rot. Bonds8

About 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 121399159) has the molecular formula C28H24Cl3N7O3 and a molecular weight of 612.91 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID121399159
Molecular FormulaC28H24Cl3N7O3
Molecular Weight612.91 g/mol
Exact Mass611.10
IUPAC Name2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCNC(=O)c1cccc([C@H](CNC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)c2nc3cc(OC)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C28H24Cl3N7O3/c1-14-34-13-38(37-14)17-8-20(30)25(21(31)9-17)28(40)33-12-18(15-5-4-6-16(7-15)27(39)32-2)26-35-22-10-19(29)24(41-3)11-23(22)36-26/h4-11,13,18H,12H2,1-3H3,(H,32,39)(H,33,40)(H,35,36)/t18-/m0/s1
InChIKeyDRWWACHHWGAEAN-SFHVURJKSA-N
XLogP5.34
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.91
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 121399159) is 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is CNC(=O)c1cccc([C@H](CNC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)c2nc3cc(OC)c(Cl)cc3[nH]2)c1.
What is the InChIKey of 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is DRWWACHHWGAEAN-SFHVURJKSA-N. The full InChI is InChI=1S/C28H24Cl3N7O3/c1-14-34-13-38(37-14)17-8-20(30)25(21(31)9-17)28(40)33-12-18(15-5-4-6-16(7-15)27(39)32-2)26-35-22-10-19(29)24(41-3)11-23(22)36-26/h4-11,13,18H,12H2,1-3H3,(H,32,39)(H,33,40)(H,35,36)/t18-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 612.91 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2R)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[3-(methylcarbamoyl)phenyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 121399159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).