5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C17H19N3O2 — CID 95938822

IUPAC5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O2/c1-11(18-10-13-5-3-4-6-16(13)22-2)12-7-8-14-15(9-12)20-17(21)19-14/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21)/t11-/m0/s1
InChIKeyVIYQSISIIMKCKW-NSHDSACASA-N
MW297.36 g/mol
LogP2.72
Rot. Bonds5

About 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 95938822) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID95938822
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O2/c1-11(18-10-13-5-3-4-6-16(13)22-2)12-7-8-14-15(9-12)20-17(21)19-14/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21)/t11-/m0/s1
InChIKeyVIYQSISIIMKCKW-NSHDSACASA-N
XLogP2.72
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61084951
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2-methoxyphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43180569
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
5-[1-[(5-methyl-2-pyridinyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 80711965

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 95938822) is 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is COc1ccccc1CN[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VIYQSISIIMKCKW-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(18-10-13-5-3-4-6-16(13)22-2)12-7-8-14-15(9-12)20-17(21)19-14/h3-9,11,18H,10H2,1-2H3,(H2,19,20,21)/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 95938822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).