N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide

C16H22N4O2 — CID 745080

IUPACN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C16H22N4O2/c1-2-15(21)18-16-17-13-5-3-4-6-14(13)20(16)8-7-19-9-11-22-12-10-19/h3-6H,2,7-12H2,1H3,(H,17,18,21)
InChIKeyRBPCOBANNCRIGB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide (PubChem CID 745080) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide
PubChem CID745080
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C16H22N4O2/c1-2-15(21)18-16-17-13-5-3-4-6-14(13)20(16)8-7-19-9-11-22-12-10-19/h3-6H,2,7-12H2,1H3,(H,17,18,21)
InChIKeyRBPCOBANNCRIGB-UHFFFAOYSA-N
XLogP1.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide (CID 745080) is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide?
The InChIKey is RBPCOBANNCRIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-15(21)18-16-17-13-5-3-4-6-14(13)20(16)8-7-19-9-11-22-12-10-19/h3-6H,2,7-12H2,1H3,(H,17,18,21).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide?
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]propanamide is sourced from PubChem (CID 745080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).