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

C28H25N3O — CID 66794011

IUPACN-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccc(Cc5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C28H25N3O/c1-32-26-14-12-25(13-15-26)31-20-30-27-18-24(11-16-28(27)31)29-19-23-9-7-22(8-10-23)17-21-5-3-2-4-6-21/h2-16,18,20,29H,17,19H2,1H3
InChIKeyCOTZCPBVWGWTME-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.24
Rot. Bonds7

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

N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 66794011) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID66794011
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4ccc(Cc5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C28H25N3O/c1-32-26-14-12-25(13-15-26)31-20-30-27-18-24(11-16-28(27)31)29-19-23-9-7-22(8-10-23)17-21-5-3-2-4-6-21/h2-16,18,20,29H,17,19H2,1H3
InChIKeyCOTZCPBVWGWTME-UHFFFAOYSA-N
XLogP6.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Astemizole
CID 2247
Metodesnitazene
CID 26412
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
2,4-Disubstituted Pyrimidine 2g
CID 5329420
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
N-(2,3-Dimethoxybenzyl)-1,2-dimethyl-1H-benzimidazol-5-amine
CID 628339
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (CID 66794011) is N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4ccc(Cc5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is COTZCPBVWGWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c1-32-26-14-12-25(13-15-26)31-20-30-27-18-24(11-16-28(27)31)29-19-23-9-7-22(8-10-23)17-21-5-3-2-4-6-21/h2-16,18,20,29H,17,19H2,1H3.
What are the key properties of N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 419.53 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 66794011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).