N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide

C24H36N4O2 — CID 45102745

IUPACN-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)
InChIKeyLRZFEWAQPXYWOH-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide

N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide (PubChem CID 45102745) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
PubChem CID45102745
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29)
InChIKeyLRZFEWAQPXYWOH-UHFFFAOYSA-N
XLogP3.40
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide (CID 45102745) is N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
The InChIKey is LRZFEWAQPXYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-17(2)18-8-10-19(11-9-18)26-14-12-20(13-15-26)28-22-7-5-4-6-21(22)27(24(28)30)16-23(29)25-3/h4-7,17-20H,8-16H2,1-3H3,(H,25,29).
What are the key properties of N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide?
N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 45102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).