2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde

C11H9ClN2O2 — CID 154261138

IUPAC2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-n1ccnc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-16-9-4-2-3-8(7-15)10(9)14-6-5-13-11(14)12/h2-7H,1H3
InChIKeyGOQZOBSPLALXKP-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde

2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde (PubChem CID 154261138) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde
PubChem CID154261138
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1-n1ccnc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-16-9-4-2-3-8(7-15)10(9)14-6-5-13-11(14)12/h2-7H,1H3
InChIKeyGOQZOBSPLALXKP-UHFFFAOYSA-N
XLogP2.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde
CID 174521610
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
4-methoxyquinoline-8-carbaldehyde
CID 171397329
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
2-(3,5-dimethylpiperazin-1-yl)-3-methoxybenzaldehyde
CID 76782314
ethane;3-methoxy-2-pyrrolidin-1-ylbenzaldehyde;N-methylmethanamine
CID 143920429
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methoxybenzaldehyde
CID 88880264

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde?
The IUPAC name of 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde (CID 154261138) is 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde is COc1cccc(C=O)c1-n1ccnc1Cl.
What is the InChIKey of 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde?
The InChIKey is GOQZOBSPLALXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-9-4-2-3-8(7-15)10(9)14-6-5-13-11(14)12/h2-7H,1H3.
What are the key properties of 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde?
2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde has a molecular weight of 236.66 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroimidazol-1-yl)-3-methoxybenzaldehyde is sourced from PubChem (CID 154261138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).