1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine

C22H21N3O2 — CID 59372972

IUPAC1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1cccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)c1
InChIInChI=1S/C22H21N3O2/c1-26-19-8-5-7-18(13-19)25-15-24-20-12-17(10-11-21(20)25)23-14-16-6-3-4-9-22(16)27-2/h3-13,15,23H,14H2,1-2H3
InChIKeyIBMUACMRSIQPLR-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.65
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine

1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine (PubChem CID 59372972) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
PubChem CID59372972
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1cccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)c1
InChIInChI=1S/C22H21N3O2/c1-26-19-8-5-7-18(13-19)25-15-24-20-12-17(10-11-21(20)25)23-14-16-6-3-4-9-22(16)27-2/h3-13,15,23H,14H2,1-2H3
InChIKeyIBMUACMRSIQPLR-UHFFFAOYSA-N
XLogP4.65
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
CID 6459986
2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
CID 166631175
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 158587879
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine;hydrochloride
CID 127020969
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
CID 3562537
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
1-(4-methoxyphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzimidazol-5-amine
CID 66794145
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine (CID 59372972) is 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine is COc1cccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The InChIKey is IBMUACMRSIQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-26-19-8-5-7-18(13-19)25-15-24-20-12-17(10-11-21(20)25)23-14-16-6-3-4-9-22(16)27-2/h3-13,15,23H,14H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine has a molecular weight of 359.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 59372972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).