5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one

C15H24N4O — CID 110491667

IUPAC5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one
SMILESCCN(CC)CCCCn1c(=O)[nH]c2ccc(N)cc21
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)9-5-6-10-19-14-11-12(16)7-8-13(14)17-15(19)20/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,17,20)
InChIKeyQOVIJPLNOBWDDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds7

About 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one

5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one (PubChem CID 110491667) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one
PubChem CID110491667
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one
SMILESCCN(CC)CCCCn1c(=O)[nH]c2ccc(N)cc21
InChIInChI=1S/C15H24N4O/c1-3-18(4-2)9-5-6-10-19-14-11-12(16)7-8-13(14)17-15(19)20/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,17,20)
InChIKeyQOVIJPLNOBWDDB-UHFFFAOYSA-N
XLogP2.03
TPSA67.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-3-hexyl-1H-benzimidazol-2-one
CID 101435534
3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
CID 79379451
3-(2-aminoethyl)-N,N-diethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831509
5-amino-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-one
CID 110491594
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
CID 110491478
3-(2-aminoethyl)-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831552
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
3-(2-aminoethyl)-5-methylsulfonyl-1H-benzimidazol-2-one
CID 66831544

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one (CID 110491667) is 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one is CCN(CC)CCCCn1c(=O)[nH]c2ccc(N)cc21.
What is the InChIKey of 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one?
The InChIKey is QOVIJPLNOBWDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18(4-2)9-5-6-10-19-14-11-12(16)7-8-13(14)17-15(19)20/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one?
5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110491667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).