3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide

C14H20N4O2 — CID 66831509

IUPAC3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2[nH]c(=O)n(CCN)c2c1
InChIInChI=1S/C14H20N4O2/c1-3-17(4-2)13(19)10-5-6-11-12(9-10)18(8-7-15)14(20)16-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,20)
InChIKeyUWIFMNMYVTWIFK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.77
Rot. Bonds5

About 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide

3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 66831509) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID66831509
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2[nH]c(=O)n(CCN)c2c1
InChIInChI=1S/C14H20N4O2/c1-3-17(4-2)13(19)10-5-6-11-12(9-10)18(8-7-15)14(20)16-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,20)
InChIKeyUWIFMNMYVTWIFK-UHFFFAOYSA-N
XLogP0.77
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide (CID 66831509) is 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2[nH]c(=O)n(CCN)c2c1.
What is the InChIKey of 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is UWIFMNMYVTWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-17(4-2)13(19)10-5-6-11-12(9-10)18(8-7-15)14(20)16-11/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,20).
What are the key properties of 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide?
3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66831509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).