N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide

C16H22N4O2 — CID 666508

IUPACN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C16H22N4O2/c1-12(21)17-13-3-4-15-14(11-13)18-16(19(15)2)5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,21)
InChIKeyUJPPOIRSNSWFKB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.41
Rot. Bonds4

About N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide

N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide (PubChem CID 666508) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
PubChem CID666508
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C16H22N4O2/c1-12(21)17-13-3-4-15-14(11-13)18-16(19(15)2)5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,21)
InChIKeyUJPPOIRSNSWFKB-UHFFFAOYSA-N
XLogP1.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide (CID 666508) is N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C.
What is the InChIKey of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide?
The InChIKey is UJPPOIRSNSWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(21)17-13-3-4-15-14(11-13)18-16(19(15)2)5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,21).
What are the key properties of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide?
N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).