N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide

C18H26N4O — CID 4887441

IUPACN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C18H26N4O/c1-13-6-9-22(10-7-13)11-8-18-20-16-12-15(19-14(2)23)4-5-17(16)21(18)3/h4-5,12-13H,6-11H2,1-3H3,(H,19,23)
InChIKeySUBUTBGKVLTEOL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.81
Rot. Bonds4

About N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide

N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide (PubChem CID 4887441) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide
PubChem CID4887441
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C18H26N4O/c1-13-6-9-22(10-7-13)11-8-18-20-16-12-15(19-14(2)23)4-5-17(16)21(18)3/h4-5,12-13H,6-11H2,1-3H3,(H,19,23)
InChIKeySUBUTBGKVLTEOL-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide (CID 4887441) is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
The InChIKey is SUBUTBGKVLTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-6-9-22(10-7-13)11-8-18-20-16-12-15(19-14(2)23)4-5-17(16)21(18)3/h4-5,12-13H,6-11H2,1-3H3,(H,19,23).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide?
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 4887441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).