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

C11H16N4O — CID 82494084

IUPAC5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H16N4O/c1-15(6-2-5-12)8-3-4-9-10(7-8)14-11(16)13-9/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,16)
InChIKeyCPXMQAXIJVYRMK-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.64
Rot. Bonds4

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

5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 82494084) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID82494084
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H16N4O/c1-15(6-2-5-12)8-3-4-9-10(7-8)14-11(16)13-9/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,16)
InChIKeyCPXMQAXIJVYRMK-UHFFFAOYSA-N
XLogP0.64
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[3-aminopropyl(methyl)amino]-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-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115245729
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one
CID 116853283
6-[3-aminopropyl(methyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 82499032
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927

Frequently Asked Questions

What is the IUPAC name of 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 82494084) is 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one is CN(CCCN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CPXMQAXIJVYRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(6-2-5-12)8-3-4-9-10(7-8)14-11(16)13-9/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,16).
What are the key properties of 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82494084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).