5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde

C18H20Cl2N2O2 — CID 22058601

IUPAC5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde
SMILESCc1nc(Cl)c(C=O)n1Cc1ccc(OCC2CCCC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O2/c1-12-21-18(20)17(10-23)22(12)9-14-6-7-15(8-16(14)19)24-11-13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3
InChIKeyIKGGKJHLGQGILC-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.93
Rot. Bonds6

About 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde

5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde (PubChem CID 22058601) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde
PubChem CID22058601
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde
SMILESCc1nc(Cl)c(C=O)n1Cc1ccc(OCC2CCCC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O2/c1-12-21-18(20)17(10-23)22(12)9-14-6-7-15(8-16(14)19)24-11-13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3
InChIKeyIKGGKJHLGQGILC-UHFFFAOYSA-N
XLogP4.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde (CID 22058601) is 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde is Cc1nc(Cl)c(C=O)n1Cc1ccc(OCC2CCCC2)cc1Cl.
What is the InChIKey of 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde?
The InChIKey is IKGGKJHLGQGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-12-21-18(20)17(10-23)22(12)9-14-6-7-15(8-16(14)19)24-11-13-4-2-3-5-13/h6-8,10,13H,2-5,9,11H2,1H3.
What are the key properties of 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde?
5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde has a molecular weight of 367.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazole-4-carbaldehyde is sourced from PubChem (CID 22058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).