N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine

C26H33N7 — CID 57206578

IUPACN'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
SMILESc1ccc(Cn2ccnc2CNCCNCCNCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C26H33N7/c1-3-7-23(8-4-1)21-32-17-15-30-25(32)19-28-13-11-27-12-14-29-20-26-31-16-18-33(26)22-24-9-5-2-6-10-24/h1-10,15-18,27-29H,11-14,19-22H2
InChIKeyRKYDKEANIHKJOF-UHFFFAOYSA-N
MW443.60 g/mol
LogP2.65
Rot. Bonds14

About N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine

N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine (PubChem CID 57206578) has the molecular formula C26H33N7 and a molecular weight of 443.60 g/mol. Its IUPAC name is N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
PubChem CID57206578
Molecular FormulaC26H33N7
Molecular Weight443.60 g/mol
Exact Mass443.28
IUPAC NameN'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
SMILESc1ccc(Cn2ccnc2CNCCNCCNCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C26H33N7/c1-3-7-23(8-4-1)21-32-17-15-30-25(32)19-28-13-11-27-12-14-29-20-26-31-16-18-33(26)22-24-9-5-2-6-10-24/h1-10,15-18,27-29H,11-14,19-22H2
InChIKeyRKYDKEANIHKJOF-UHFFFAOYSA-N
XLogP2.65
TPSA71.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 45241917
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
CID 45219998
N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
CID 133324117
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807

Frequently Asked Questions

What is the IUPAC name of N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine (CID 57206578) is N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine is c1ccc(Cn2ccnc2CNCCNCCNCc2nccn2Cc2ccccc2)cc1.
What is the InChIKey of N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine?
The InChIKey is RKYDKEANIHKJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7/c1-3-7-23(8-4-1)21-32-17-15-30-25(32)19-28-13-11-27-12-14-29-20-26-31-16-18-33(26)22-24-9-5-2-6-10-24/h1-10,15-18,27-29H,11-14,19-22H2.
What are the key properties of N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine?
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine has a molecular weight of 443.60 g/mol, XLogP of 2.65, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 57206578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).