5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C17H19N3O3 — CID 17058888

IUPAC5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-3-23-15-7-4-11(8-16(15)22-2)10-18-12-5-6-13-14(9-12)20-17(21)19-13/h4-9,18H,3,10H2,1-2H3,(H2,19,20,21)
InChIKeyINWNZWMSPBTVDO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.88
Rot. Bonds6

About 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 17058888) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID17058888
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-3-23-15-7-4-11(8-16(15)22-2)10-18-12-5-6-13-14(9-12)20-17(21)19-13/h4-9,18H,3,10H2,1-2H3,(H2,19,20,21)
InChIKeyINWNZWMSPBTVDO-UHFFFAOYSA-N
XLogP2.88
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 3157952
5-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;dihydrochloride
CID 17060170
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060005
5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060006
5-[(3-chloro-4,5-diethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060009
5-[(5-bromo-2-ethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 6501967
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
2-[2-chloro-6-ethoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 6501980
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
5-[(5-bromo-2-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 1227105
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 17058888) is 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is CCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC.
What is the InChIKey of 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is INWNZWMSPBTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-23-15-7-4-11(8-16(15)22-2)10-18-12-5-6-13-14(9-12)20-17(21)19-13/h4-9,18H,3,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 313.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 17058888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).