1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine

C12H14ClN3 — CID 106570141

IUPAC1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-2-14-12-15-6-7-16(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeySRGKPGDHXZDFAN-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.02
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine

1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine (PubChem CID 106570141) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
PubChem CID106570141
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-2-14-12-15-6-7-16(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeySRGKPGDHXZDFAN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine (CID 106570141) is 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine is CCNc1nccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine?
The InChIKey is SRGKPGDHXZDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-14-12-15-6-7-16(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine?
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine is sourced from PubChem (CID 106570141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).