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

C19H28N4O2 — CID 666138

IUPACN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C19H28N4O2/c1-3-4-5-19(24)20-15-6-7-17-16(14-15)21-18(22(17)2)8-9-23-10-12-25-13-11-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeyIOJHRAOPMRKJKK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.58
Rot. Bonds7

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

N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide (PubChem CID 666138) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide
PubChem CID666138
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C
InChIInChI=1S/C19H28N4O2/c1-3-4-5-19(24)20-15-6-7-17-16(14-15)21-18(22(17)2)8-9-23-10-12-25-13-11-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeyIOJHRAOPMRKJKK-UHFFFAOYSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.58
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]pentanamide?
The IUPAC name of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide (CID 666138) is N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide.
What is the SMILES notation for N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide?
The canonical SMILES for N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C.
What is the InChIKey of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide?
The InChIKey is IOJHRAOPMRKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-4-5-19(24)20-15-6-7-17-16(14-15)21-18(22(17)2)8-9-23-10-12-25-13-11-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide?
N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide has a molecular weight of 344.46 g/mol, XLogP of 2.58, 7 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]pentanamide is sourced from PubChem (CID 666138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).