5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C14H22N4O — CID 115199666

IUPAC5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(N)CCN(C)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-10(15)5-7-18(2)8-6-11-3-4-12-13(9-11)17-14(19)16-12/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,17,19)
InChIKeyKDIFZUDBNGCTAR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.07
Rot. Bonds6

About 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115199666) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115199666
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(N)CCN(C)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-10(15)5-7-18(2)8-6-11-3-4-12-13(9-11)17-14(19)16-12/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,17,19)
InChIKeyKDIFZUDBNGCTAR-UHFFFAOYSA-N
XLogP1.07
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
methyl-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyanamide
CID 117043544
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
4-[methyl-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]amino]butanenitrile
CID 115232069
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 115199666) is 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(N)CCN(C)CCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KDIFZUDBNGCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(15)5-7-18(2)8-6-11-3-4-12-13(9-11)17-14(19)16-12/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115199666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).