N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine

C13H18N4 — CID 55256491

IUPACN'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
SMILESCCn1ccnc1NCC(N)c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-17-9-8-15-13(17)16-10-12(14)11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3,(H,15,16)
InChIKeyGWNNVGBRWIFNQH-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.01
Rot. Bonds5

About N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine

N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 55256491) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
PubChem CID55256491
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
SMILESCCn1ccnc1NCC(N)c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-17-9-8-15-13(17)16-10-12(14)11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3,(H,15,16)
InChIKeyGWNNVGBRWIFNQH-UHFFFAOYSA-N
XLogP2.01
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
CID 80507516
1-(1-(213C)ethylimidazol-2-yl)-2-phenylhydrazine
CID 102512179
1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 63120833
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
N-ethyl-1-(3-phenylbutyl)imidazol-2-amine
CID 106572158
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
CID 82017050
4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
CID 103153802
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
1-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]imidazol-2-amine
CID 62139154

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine (CID 55256491) is N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine is CCn1ccnc1NCC(N)c1ccccc1.
What is the InChIKey of N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is GWNNVGBRWIFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17-9-8-15-13(17)16-10-12(14)11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3,(H,15,16).
What are the key properties of N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine?
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 230.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 55256491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).