N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

C28H30N6O — CID 658809

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C28H30N6O/c1-2-8-22(9-3-1)21-34-26-13-7-4-10-23(26)30-27(34)20-29-28-31-24-11-5-6-12-25(24)33(28)15-14-32-16-18-35-19-17-32/h1-13H,14-21H2,(H,29,31)
InChIKeyRASVISOXUJEIQO-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.38
Rot. Bonds8

About N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 658809) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID658809
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C28H30N6O/c1-2-8-22(9-3-1)21-34-26-13-7-4-10-23(26)30-27(34)20-29-28-31-24-11-5-6-12-25(24)33(28)15-14-32-16-18-35-19-17-32/h1-13H,14-21H2,(H,29,31)
InChIKeyRASVISOXUJEIQO-UHFFFAOYSA-N
XLogP4.38
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-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-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (CID 658809) is N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is c1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is RASVISOXUJEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-2-8-22(9-3-1)21-34-26-13-7-4-10-23(26)30-27(34)20-29-28-31-24-11-5-6-12-25(24)33(28)15-14-32-16-18-35-19-17-32/h1-13H,14-21H2,(H,29,31).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 466.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 658809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).