2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine

C22H23N5 — CID 97306837

IUPAC2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine
SMILESc1ccc(Cn2ccnc2CCN[C@@H](c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H23N5/c1-3-7-18(8-4-1)17-27-16-15-23-20(27)11-12-24-21(22-25-13-14-26-22)19-9-5-2-6-10-19/h1-10,13-16,21,24H,11-12,17H2,(H,25,26)/t21-/m0/s1
InChIKeyLXTUYRLBZZGGDT-NRFANRHFSA-N
MW357.46 g/mol
LogP3.58
Rot. Bonds8

About 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine

2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine (PubChem CID 97306837) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine
PubChem CID97306837
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine
SMILESc1ccc(Cn2ccnc2CCN[C@@H](c2ccccc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H23N5/c1-3-7-18(8-4-1)17-27-16-15-23-20(27)11-12-24-21(22-25-13-14-26-22)19-9-5-2-6-10-19/h1-10,13-16,21,24H,11-12,17H2,(H,25,26)/t21-/m0/s1
InChIKeyLXTUYRLBZZGGDT-NRFANRHFSA-N
XLogP3.58
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118
[1H-imidazol-2-yl(phenyl)methyl]hydrazine
CID 105251994
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
1-benzyl-2-octylimidazole
CID 70491727
3-[[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]methyl]benzamide
CID 97306827
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine?
The IUPAC name of 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine (CID 97306837) is 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine is c1ccc(Cn2ccnc2CCN[C@@H](c2ccccc2)c2ncc[nH]2)cc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine?
The InChIKey is LXTUYRLBZZGGDT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N5/c1-3-7-18(8-4-1)17-27-16-15-23-20(27)11-12-24-21(22-25-13-14-26-22)19-9-5-2-6-10-19/h1-10,13-16,21,24H,11-12,17H2,(H,25,26)/t21-/m0/s1.
What are the key properties of 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine?
2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine has a molecular weight of 357.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)-N-[(S)-1H-imidazol-2-yl(phenyl)methyl]ethanamine is sourced from PubChem (CID 97306837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).