N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine

C24H25N3O2 — CID 3464470

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25N3O2/c1-17-8-10-18(11-9-17)16-27-21-7-5-4-6-20(21)26-24(27)25-15-19-12-13-22(28-2)23(14-19)29-3/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyRVOHOLXWVBFBNV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.02
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine (PubChem CID 3464470) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine
PubChem CID3464470
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25N3O2/c1-17-8-10-18(11-9-17)16-27-21-7-5-4-6-20(21)26-24(27)25-15-19-12-13-22(28-2)23(14-19)29-3/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyRVOHOLXWVBFBNV-UHFFFAOYSA-N
XLogP5.02
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine (CID 3464470) is N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine is COc1ccc(CNc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is RVOHOLXWVBFBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-8-10-18(11-9-17)16-27-21-7-5-4-6-20(21)26-24(27)25-15-19-12-13-22(28-2)23(14-19)29-3/h4-14H,15-16H2,1-3H3,(H,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 387.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 3464470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).