5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C13H19N5O — CID 115230015

IUPAC5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C13H19N5O/c19-13-16-11-2-1-10(7-12(11)17-13)8-15-9-18-5-3-14-4-6-18/h1-2,7,14-15H,3-6,8-9H2,(H2,16,17,19)
InChIKeyDHVIOKGLNJYYOY-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.19
Rot. Bonds4

About 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115230015) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115230015
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C13H19N5O/c19-13-16-11-2-1-10(7-12(11)17-13)8-15-9-18-5-3-14-4-6-18/h1-2,7,14-15H,3-6,8-9H2,(H2,16,17,19)
InChIKeyDHVIOKGLNJYYOY-UHFFFAOYSA-N
XLogP-0.19
TPSA75.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
CID 115229974
1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167895937
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559

Frequently Asked Questions

What is the IUPAC name of 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 115230015) is 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CNCN3CCNCC3)cc2[nH]1.
What is the InChIKey of 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DHVIOKGLNJYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-13-16-11-2-1-10(7-12(11)17-13)8-15-9-18-5-3-14-4-6-18/h1-2,7,14-15H,3-6,8-9H2,(H2,16,17,19).
What are the key properties of 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).