N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

C24H33N5O — CID 1291397

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C24H33N5O/c1-3-28(4-2)21-11-9-20(10-12-21)19-25-24-26-22-7-5-6-8-23(22)29(24)14-13-27-15-17-30-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,26)
InChIKeyBFGFNKJQXUMVDP-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.83
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 1291397) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID1291397
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESCCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C24H33N5O/c1-3-28(4-2)21-11-9-20(10-12-21)19-25-24-26-22-7-5-6-8-23(22)29(24)14-13-27-15-17-30-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,26)
InChIKeyBFGFNKJQXUMVDP-UHFFFAOYSA-N
XLogP3.83
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (CID 1291397) is N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is BFGFNKJQXUMVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-3-28(4-2)21-11-9-20(10-12-21)19-25-24-26-22-7-5-6-8-23(22)29(24)14-13-27-15-17-30-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,25,26).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 407.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 1291397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).