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

C22H20ClN3O3 — CID 1143869

IUPAC5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O3/c1-28-20-8-4-6-14(21(20)29-13-15-5-2-3-7-17(15)23)12-24-16-9-10-18-19(11-16)26-22(27)25-18/h2-11,24H,12-13H2,1H3,(H2,25,26,27)
InChIKeyMYKBGMNNPCPVTR-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.71
Rot. Bonds7

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

5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 1143869) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID1143869
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1Cl
InChIInChI=1S/C22H20ClN3O3/c1-28-20-8-4-6-14(21(20)29-13-15-5-2-3-7-17(15)23)12-24-16-9-10-18-19(11-16)26-22(27)25-18/h2-11,24H,12-13H2,1H3,(H2,25,26,27)
InChIKeyMYKBGMNNPCPVTR-UHFFFAOYSA-N
XLogP4.71
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-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-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058853
5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060210
5-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66540229
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
5-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17057913
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060005
5-[(5-bromo-2-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 1227105
5-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17057906
N-tert-butyl-2-[5-chloro-2-methoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 66539936
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722311
5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 4084219

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one (CID 1143869) is 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one is COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1Cl.
What is the InChIKey of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MYKBGMNNPCPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-28-20-8-4-6-14(21(20)29-13-15-5-2-3-7-17(15)23)12-24-16-9-10-18-19(11-16)26-22(27)25-18/h2-11,24H,12-13H2,1H3,(H2,25,26,27).
What are the key properties of 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 409.87 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 1143869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).