[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium

C12H15ClN3O2+ — CID 143812515

IUPAC[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium
SMILESCO[NH2+]c1cc(OC)c(Cl)cc1-n1cnc(C)c1
InChIInChI=1S/C12H14ClN3O2/c1-8-6-16(7-14-8)11-4-9(13)12(17-2)5-10(11)15-18-3/h4-7,15H,1-3H3/p+1
InChIKeyHUXUEAXBTLJAJI-UHFFFAOYSA-O
MW268.72 g/mol
LogP1.60
Rot. Bonds4

About [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium

[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium (PubChem CID 143812515) has the molecular formula C12H15ClN3O2+ and a molecular weight of 268.72 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium
PubChem CID143812515
Molecular FormulaC12H15ClN3O2+
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium
SMILESCO[NH2+]c1cc(OC)c(Cl)cc1-n1cnc(C)c1
InChIInChI=1S/C12H14ClN3O2/c1-8-6-16(7-14-8)11-4-9(13)12(17-2)5-10(11)15-18-3/h4-7,15H,1-3H3/p+1
InChIKeyHUXUEAXBTLJAJI-UHFFFAOYSA-O
XLogP1.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
4-methoxy-N-methyl-5-(4-methylimidazol-1-yl)pyridin-2-amine
CID 169237582
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 58110571
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
(E)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66838905
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium?
The IUPAC name of [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium (CID 143812515) is [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium.
What is the SMILES notation for [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium?
The canonical SMILES for [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium is CO[NH2+]c1cc(OC)c(Cl)cc1-n1cnc(C)c1.
What is the InChIKey of [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium?
The InChIKey is HUXUEAXBTLJAJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14ClN3O2/c1-8-6-16(7-14-8)11-4-9(13)12(17-2)5-10(11)15-18-3/h4-7,15H,1-3H3/p+1.
What are the key properties of [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium?
[4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium has a molecular weight of 268.72 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-(4-methylimidazol-1-yl)phenyl]-methoxyazanium is sourced from PubChem (CID 143812515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).