5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one

C14H22N4O — CID 115197598

IUPAC5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(CNCCCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,9-16-7-3-6-15)10-4-5-11-12(8-10)18-13(19)17-11/h4-5,8,16H,3,6-7,9,15H2,1-2H3,(H2,17,18,19)
InChIKeyNZCUOJUNUVPSFU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.07
Rot. Bonds6

About 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one

5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115197598) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115197598
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(CNCCCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,9-16-7-3-6-15)10-4-5-11-12(8-10)18-13(19)17-11/h4-5,8,16H,3,6-7,9,15H2,1-2H3,(H2,17,18,19)
InChIKeyNZCUOJUNUVPSFU-UHFFFAOYSA-N
XLogP1.07
TPSA86.70 Ų
H-Bond Donors4
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 ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 115228596
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
N'-[2-(3H-benzimidazol-5-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195641
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
5-[2-methyl-1-[2-(methylamino)ethylamino]propan-2-yl]-3H-1,3-benzoxazol-2-one
CID 115196207
N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198160

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one (CID 115197598) is 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)(CNCCCN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NZCUOJUNUVPSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,9-16-7-3-6-15)10-4-5-11-12(8-10)18-13(19)17-11/h4-5,8,16H,3,6-7,9,15H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-aminopropylamino)-2-methylpropan-2-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115197598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).