5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one

C12H18N4O2 — CID 117039136

IUPAC5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC(O)CCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H18N4O2/c1-16(7-9(17)4-5-13)8-2-3-10-11(6-8)15-12(18)14-10/h2-3,6,9,17H,4-5,7,13H2,1H3,(H2,14,15,18)
InChIKeyZSIKCYZSHGPSNV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.00
Rot. Bonds5

About 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 117039136) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID117039136
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC(O)CCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H18N4O2/c1-16(7-9(17)4-5-13)8-2-3-10-11(6-8)15-12(18)14-10/h2-3,6,9,17H,4-5,7,13H2,1H3,(H2,14,15,18)
InChIKeyZSIKCYZSHGPSNV-UHFFFAOYSA-N
XLogP0.00
TPSA98.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
1-[3-[(4-amino-2-hydroxybutyl)-methylamino]phenyl]ethanone
CID 112514419
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115245729
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115122051

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one (CID 117039136) is 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one is CN(CC(O)CCN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZSIKCYZSHGPSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(7-9(17)4-5-13)8-2-3-10-11(6-8)15-12(18)14-10/h2-3,6,9,17H,4-5,7,13H2,1H3,(H2,14,15,18).
What are the key properties of 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117039136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).