N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine

C26H25N5O2 — CID 66679323

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine
SMILESCOc1cccc(-c2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3n2C)c1
InChIInChI=1S/C26H25N5O2/c1-17-15-31(16-27-17)22-12-11-19(14-24(22)33-4)28-21-9-6-10-23-25(21)29-26(30(23)2)18-7-5-8-20(13-18)32-3/h5-16,28H,1-4H3
InChIKeyFYBNSZAREGIYIO-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.50
Rot. Bonds6

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine (PubChem CID 66679323) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine
PubChem CID66679323
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine
SMILESCOc1cccc(-c2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3n2C)c1
InChIInChI=1S/C26H25N5O2/c1-17-15-31(16-27-17)22-12-11-19(14-24(22)33-4)28-21-9-6-10-23-25(21)29-26(30(23)2)18-7-5-8-20(13-18)32-3/h5-16,28H,1-4H3
InChIKeyFYBNSZAREGIYIO-UHFFFAOYSA-N
XLogP5.50
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-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 N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine (CID 66679323) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine is COc1cccc(-c2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3n2C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine?
The InChIKey is FYBNSZAREGIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-15-31(16-27-17)22-12-11-19(14-24(22)33-4)28-21-9-6-10-23-25(21)29-26(30(23)2)18-7-5-8-20(13-18)32-3/h5-16,28H,1-4H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine has a molecular weight of 439.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 66679323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).