N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane

C26H34N6 — CID 143848512

IUPACN-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
SMILESCC.CCCNCc1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C24H28N6.C2H6/c1-3-12-26-15-23-27-13-21(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)22-14-28-24(30-22)16(2)25;1-2/h4-11,13-14,16,26H,3,12,15,25H2,1-2H3,(H,27,29)(H,28,30);1-2H3/t16-;/m0./s1
InChIKeyIUKZPJFPVUYSEK-NTISSMGPSA-N
MW430.60 g/mol
LogP5.68
Rot. Bonds8

About N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane

N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane (PubChem CID 143848512) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane.

Molecular Properties

Compound NameN-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
PubChem CID143848512
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC NameN-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
SMILESCC.CCCNCc1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C24H28N6.C2H6/c1-3-12-26-15-23-27-13-21(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)22-14-28-24(30-22)16(2)25;1-2/h4-11,13-14,16,26H,3,12,15,25H2,1-2H3,(H,27,29)(H,28,30);1-2H3/t16-;/m0./s1
InChIKeyIUKZPJFPVUYSEK-NTISSMGPSA-N
XLogP5.68
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 123743795
N-[[5-[4-(5-bromothiophen-2-yl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415020
(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970539
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877297
acetylene;N-[[5-[4-[2-[(1S)-1-(methylamino)ethyl]-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 143849317
4-methoxy-N-propyl-N-[[5-[4-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide
CID 143630244
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
CID 114079740
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane?
The IUPAC name of N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane (CID 143848512) is N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane.
What is the SMILES notation for N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane?
The canonical SMILES for N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane is CC.CCCNCc1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane?
The InChIKey is IUKZPJFPVUYSEK-NTISSMGPSA-N. The full InChI is InChI=1S/C24H28N6.C2H6/c1-3-12-26-15-23-27-13-21(29-23)19-8-4-17(5-9-19)18-6-10-20(11-7-18)22-14-28-24(30-22)16(2)25;1-2/h4-11,13-14,16,26H,3,12,15,25H2,1-2H3,(H,27,29)(H,28,30);1-2H3/t16-;/m0./s1.
What are the key properties of N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane?
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane has a molecular weight of 430.60 g/mol, XLogP of 5.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane is sourced from PubChem (CID 143848512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).