5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one

C17H19N3O — CID 43490689

IUPAC5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-2-18-15(10-12-6-4-3-5-7-12)13-8-9-14-16(11-13)20-17(21)19-14/h3-9,11,15,18H,2,10H2,1H3,(H2,19,20,21)
InChIKeyOWSGAKNSMUKPAO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.75
Rot. Bonds5

About 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43490689) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43490689
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-2-18-15(10-12-6-4-3-5-7-12)13-8-9-14-16(11-13)20-17(21)19-14/h3-9,11,15,18H,2,10H2,1H3,(H2,19,20,21)
InChIKeyOWSGAKNSMUKPAO-UHFFFAOYSA-N
XLogP2.75
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[1-(ethylamino)-2-phenylethyl]-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

1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43483587
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one (CID 43490689) is 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one is CCNC(Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OWSGAKNSMUKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-18-15(10-12-6-4-3-5-7-12)13-8-9-14-16(11-13)20-17(21)19-14/h3-9,11,15,18H,2,10H2,1H3,(H2,19,20,21).
What are the key properties of 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43490689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).