5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride

C22H20ClN3O3 — CID 73362904

IUPAC5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
SMILESCOc1cccc(CNc2ccc3c(c2)=NC(=O)N=3)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H19N3O3.ClH/c1-27-20-9-5-8-16(21(20)28-14-15-6-3-2-4-7-15)13-23-17-10-11-18-19(12-17)25-22(26)24-18;/h2-12,23H,13-14H2,1H3;1H
InChIKeyKVYBOQPMLLSULV-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.68
Rot. Bonds7

About 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride

5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride (PubChem CID 73362904) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
PubChem CID73362904
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
SMILESCOc1cccc(CNc2ccc3c(c2)=NC(=O)N=3)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H19N3O3.ClH/c1-27-20-9-5-8-16(21(20)28-14-15-6-3-2-4-7-15)13-23-17-10-11-18-19(12-17)25-22(26)24-18;/h2-12,23H,13-14H2,1H3;1H
InChIKeyKVYBOQPMLLSULV-UHFFFAOYSA-N
XLogP3.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060210
3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide
CID 17058003
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one
CID 73362937
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
5-[(3-bromo-4,5-dimethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
CID 73362856
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride (CID 73362904) is 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride is COc1cccc(CNc2ccc3c(c2)=NC(=O)N=3)c1OCc1ccccc1.Cl.
What is the InChIKey of 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
The InChIKey is KVYBOQPMLLSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3.ClH/c1-27-20-9-5-8-16(21(20)28-14-15-6-3-2-4-7-15)13-23-17-10-11-18-19(12-17)25-22(26)24-18;/h2-12,23H,13-14H2,1H3;1H.
What are the key properties of 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride?
5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride has a molecular weight of 409.87 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 73362904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).