2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide

C23H20ClN3O — CID 46328366

IUPAC2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCc1ccc2nc(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O/c1-15-9-11-20-21(13-15)27-22(26-20)12-10-16-5-4-6-17(14-16)25-23(28)18-7-2-3-8-19(18)24/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyMZHNPRQPUWUCOU-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.56
Rot. Bonds5

About 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide

2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide (PubChem CID 46328366) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
PubChem CID46328366
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCc1ccc2nc(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O/c1-15-9-11-20-21(13-15)27-22(26-20)12-10-16-5-4-6-17(14-16)25-23(28)18-7-2-3-8-19(18)24/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyMZHNPRQPUWUCOU-UHFFFAOYSA-N
XLogP5.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide (CID 46328366) is 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide is Cc1ccc2nc(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1.
What is the InChIKey of 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide?
The InChIKey is MZHNPRQPUWUCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-15-9-11-20-21(13-15)27-22(26-20)12-10-16-5-4-6-17(14-16)25-23(28)18-7-2-3-8-19(18)24/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide?
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 46328366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).