N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide

C14H20N4O — CID 658339

IUPACN-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN(C)C
InChIInChI=1S/C14H20N4O/c1-4-13(19)16-14-15-11-7-5-6-8-12(11)18(14)10-9-17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,16,19)
InChIKeyJOGLKQVOQFGULA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide

N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide (PubChem CID 658339) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide
PubChem CID658339
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN(C)C
InChIInChI=1S/C14H20N4O/c1-4-13(19)16-14-15-11-7-5-6-8-12(11)18(14)10-9-17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,16,19)
InChIKeyJOGLKQVOQFGULA-UHFFFAOYSA-N
XLogP1.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide (CID 658339) is N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccccc2n1CCN(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide?
The InChIKey is JOGLKQVOQFGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-13(19)16-14-15-11-7-5-6-8-12(11)18(14)10-9-17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,16,19).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide?
N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 658339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).