N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine

C12H14ClN3 — CID 62136767

IUPACN-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-16-8-7-14-12(16)15-9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyUJJVXUTZJAXAKT-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine

N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine (PubChem CID 62136767) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
PubChem CID62136767
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NCc1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-16-8-7-14-12(16)15-9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyUJJVXUTZJAXAKT-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]imidazol-2-amine
CID 62139154
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
1-ethyl-N-[(2-methyl-3-nitrophenyl)methyl]imidazol-2-amine
CID 103111946
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730459
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785749
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
1-(1-(213C)ethylimidazol-2-yl)-2-phenylhydrazine
CID 102512179

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine (CID 62136767) is N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine is CCn1ccnc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine?
The InChIKey is UJJVXUTZJAXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-16-8-7-14-12(16)15-9-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine?
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 62136767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).