N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

C12H14ClN3O — CID 106558420

IUPACN-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3O/c1-17-8-7-16-6-5-14-12(16)15-11-4-2-3-10(13)9-11/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyBMKJANZENZNGOM-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.93
Rot. Bonds5

About N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106558420) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106558420
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3O/c1-17-8-7-16-6-5-14-12(16)15-11-4-2-3-10(13)9-11/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyBMKJANZENZNGOM-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[3-(methoxymethyl)phenyl]imidazol-2-amine
CID 106567138
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
CID 106554048
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369
N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578727
N-(2-ethoxyphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583771
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 106558420) is N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1ccnc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is BMKJANZENZNGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-8-7-16-6-5-14-12(16)15-11-4-2-3-10(13)9-11/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106558420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).