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

C17H19N3O2 — CID 71942718

IUPAC5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CNC(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)
InChIKeyVIYQSISIIMKCKW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.72
Rot. Bonds5

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

5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 71942718) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID71942718
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CNC(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)
InChIKeyVIYQSISIIMKCKW-UHFFFAOYSA-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

8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-chromeno[7,8-d]imidazol-2-one
CID 9948584
(R)-8-(Benzylamino-methyl)-3,6,7,8-tetrahydro-1H-chromeno[7,8-d]imidazol-2-one
CID 9861459
5-{[2-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2111513
N-[(2-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9156652
N-(4-methoxyphenyl)-1-indolinecarboxamide
CID 894713
1-(1-(4-methoxybenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 9927776
1-{1-[3-(2,5-Dimethyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
CID 10159203
N-(chroman-4-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576567
1-(2''-Methoxybiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831056
1-[(4-Aminophenyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
CID 67257644
(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2360179
1-(4-Ethylphenyl)-3-{[1-(4-methoxyphenyl)pyrrolidin-3-YL]methyl}urea
CID 4226013

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 71942718) is 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is COc1ccccc1CNC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VIYQSISIIMKCKW-UHFFFAOYSA-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).
What are the key properties of 5-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[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-[1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71942718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).