N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine

C14H18ClN3O2 — CID 106563995

IUPACN-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1cc(OC)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-19-9-3-7-18-8-6-16-14(18)17-13-10-11(20-2)4-5-12(13)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyMIRJQYAZWRHDPS-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.33
Rot. Bonds7

About N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106563995) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106563995
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1Nc1cc(OC)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-19-9-3-7-18-8-6-16-14(18)17-13-10-11(20-2)4-5-12(13)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyMIRJQYAZWRHDPS-UHFFFAOYSA-N
XLogP3.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106563995) is N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1Nc1cc(OC)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is MIRJQYAZWRHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-19-9-3-7-18-8-6-16-14(18)17-13-10-11(20-2)4-5-12(13)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 295.77 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106563995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).