1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine

C26H29N3O — CID 139536110

IUPAC1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(COC)Cc1ccc(C)cc1
InChIInChI=1S/C26H29N3O/c1-19-8-12-21(13-9-19)16-23(18-30-3)29-25-7-5-4-6-24(25)28(26(29)27)17-22-14-10-20(2)11-15-22/h4-15,23,27H,16-18H2,1-3H3/b27-26-
InChIKeyQIUBWNIAGQPVRV-RQZHXJHFSA-N
MW399.54 g/mol
LogP5.02
Rot. Bonds7

About 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine

1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine (PubChem CID 139536110) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine.

Molecular Properties

Compound Name1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine
PubChem CID139536110
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(COC)Cc1ccc(C)cc1
InChIInChI=1S/C26H29N3O/c1-19-8-12-21(13-9-19)16-23(18-30-3)29-25-7-5-4-6-24(25)28(26(29)27)17-22-14-10-20(2)11-15-22/h4-15,23,27H,16-18H2,1-3H3/b27-26-
InChIKeyQIUBWNIAGQPVRV-RQZHXJHFSA-N
XLogP5.02
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine 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-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine?
The IUPAC name of 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine (CID 139536110) is 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine.
What is the SMILES notation for 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine?
The canonical SMILES for 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine is [H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1C(COC)Cc1ccc(C)cc1.
What is the InChIKey of 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine?
The InChIKey is QIUBWNIAGQPVRV-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H29N3O/c1-19-8-12-21(13-9-19)16-23(18-30-3)29-25-7-5-4-6-24(25)28(26(29)27)17-22-14-10-20(2)11-15-22/h4-15,23,27H,16-18H2,1-3H3/b27-26-.
What are the key properties of 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine?
1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine has a molecular weight of 399.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-3-(4-methylphenyl)propan-2-yl]-3-[(4-methylphenyl)methyl]benzimidazol-2-imine is sourced from PubChem (CID 139536110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).