N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide

C21H28ClN3O — CID 155399265

IUPACN-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide
SMILESCCC1CC2CC(C)C(CC(=O)Nc3ccc4nc(Cl)[nH]c4c3)C(C1)C2
InChIInChI=1S/C21H28ClN3O/c1-3-13-7-14-6-12(2)17(15(8-13)9-14)11-20(26)23-16-4-5-18-19(10-16)25-21(22)24-18/h4-5,10,12-15,17H,3,6-9,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMXUBKWJQDGMNLK-UHFFFAOYSA-N
MW373.93 g/mol
LogP5.64
Rot. Bonds4

About N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide

N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide (PubChem CID 155399265) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide
PubChem CID155399265
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide
SMILESCCC1CC2CC(C)C(CC(=O)Nc3ccc4nc(Cl)[nH]c4c3)C(C1)C2
InChIInChI=1S/C21H28ClN3O/c1-3-13-7-14-6-12(2)17(15(8-13)9-14)11-20(26)23-16-4-5-18-19(10-16)25-21(22)24-18/h4-5,10,12-15,17H,3,6-9,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyMXUBKWJQDGMNLK-UHFFFAOYSA-N
XLogP5.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.93
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide (CID 155399265) is N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide is CCC1CC2CC(C)C(CC(=O)Nc3ccc4nc(Cl)[nH]c4c3)C(C1)C2.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide?
The InChIKey is MXUBKWJQDGMNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-3-13-7-14-6-12(2)17(15(8-13)9-14)11-20(26)23-16-4-5-18-19(10-16)25-21(22)24-18/h4-5,10,12-15,17H,3,6-9,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide?
N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide has a molecular weight of 373.93 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)-2-(7-ethyl-3-methyl-2-bicyclo[3.3.1]nonanyl)acetamide is sourced from PubChem (CID 155399265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).