1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine

C22H21N3O2 — CID 1122996

IUPAC1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)cc1
InChIInChI=1S/C22H21N3O2/c1-26-19-10-8-18(9-11-19)25-15-24-20-13-17(7-12-21(20)25)23-14-16-5-3-4-6-22(16)27-2/h3-13,15,23H,14H2,1-2H3
InChIKeyCWVNGHGRVCDVIO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.65
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine

1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine (PubChem CID 1122996) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
PubChem CID1122996
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)cc1
InChIInChI=1S/C22H21N3O2/c1-26-19-10-8-18(9-11-19)25-15-24-20-13-17(7-12-21(20)25)23-14-16-5-3-4-6-22(16)27-2/h3-13,15,23H,14H2,1-2H3
InChIKeyCWVNGHGRVCDVIO-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'}

Analyze 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine (CID 1122996) is 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
The InChIKey is CWVNGHGRVCDVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-26-19-10-8-18(9-11-19)25-15-24-20-13-17(7-12-21(20)25)23-14-16-5-3-4-6-22(16)27-2/h3-13,15,23H,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine?
1-(4-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-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 1122996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).