N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine

C23H19N3O — CID 155511290

IUPACN-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cc4ccccc4o3)nc3ccccc32)cc1
InChIInChI=1S/C23H19N3O/c1-2-8-17(9-3-1)16-26-21-12-6-5-11-20(21)25-23(26)24-15-19-14-18-10-4-7-13-22(18)27-19/h1-14H,15-16H2,(H,24,25)
InChIKeyVDWCNKHGLMLHAO-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.44
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine

N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine (PubChem CID 155511290) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
PubChem CID155511290
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3cc4ccccc4o3)nc3ccccc32)cc1
InChIInChI=1S/C23H19N3O/c1-2-8-17(9-3-1)16-26-21-12-6-5-11-20(21)25-23(26)24-15-19-14-18-10-4-7-13-22(18)27-19/h1-14H,15-16H2,(H,24,25)
InChIKeyVDWCNKHGLMLHAO-UHFFFAOYSA-N
XLogP5.44
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
CID 4673854
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
CID 2870437
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
1-benzyl-N-[(E)-ethylideneamino]benzimidazol-2-amine
CID 23266662
3-benzyl-2-(benzylamino)-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 15012861
1-benzyl-2-chlorobenzimidazole
CID 3821987
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N-(1-benzofuran-2-ylmethyl)-5-chloropyridin-2-amine
CID 171680431
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine (CID 155511290) is N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine is c1ccc(Cn2c(NCc3cc4ccccc4o3)nc3ccccc32)cc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine?
The InChIKey is VDWCNKHGLMLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-2-8-17(9-3-1)16-26-21-12-6-5-11-20(21)25-23(26)24-15-19-14-18-10-4-7-13-22(18)27-19/h1-14H,15-16H2,(H,24,25).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine?
N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine has a molecular weight of 353.43 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine is sourced from PubChem (CID 155511290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).