1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride

C23H26Cl2N4 — CID 2870437

IUPAC1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
SMILESCN(C)c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H24N4.2ClH/c1-26(2)20-14-12-18(13-15-20)16-24-23-25-21-10-6-7-11-22(21)27(23)17-19-8-4-3-5-9-19;;/h3-15H,16-17H2,1-2H3,(H,24,25);2*1H
InChIKeyHLKBOBSOKPNARD-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.61
Rot. Bonds6

About 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride

1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride (PubChem CID 2870437) has the molecular formula C23H26Cl2N4 and a molecular weight of 429.40 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
PubChem CID2870437
Molecular FormulaC23H26Cl2N4
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride
SMILESCN(C)c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H24N4.2ClH/c1-26(2)20-14-12-18(13-15-20)16-24-23-25-21-10-6-7-11-22(21)27(23)17-19-8-4-3-5-9-19;;/h3-15H,16-17H2,1-2H3,(H,24,25);2*1H
InChIKeyHLKBOBSOKPNARD-UHFFFAOYSA-N
XLogP5.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
1-benzyl-N-[(5-methylfuran-2-yl)methyl]benzimidazol-2-amine
CID 4673854
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-amine
CID 7342816
N-(1-benzofuran-2-ylmethyl)-1-benzylbenzimidazol-2-amine
CID 155511290
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
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
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
CID 7010805
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride (CID 2870437) is 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride is CN(C)c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride?
The InChIKey is HLKBOBSOKPNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4.2ClH/c1-26(2)20-14-12-18(13-15-20)16-24-23-25-21-10-6-7-11-22(21)27(23)17-19-8-4-3-5-9-19;;/h3-15H,16-17H2,1-2H3,(H,24,25);2*1H.
What are the key properties of 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride?
1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride has a molecular weight of 429.40 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-2-amine;dihydrochloride is sourced from PubChem (CID 2870437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).