2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde

C14H15ClN2O2 — CID 15099320

IUPAC2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde
SMILESCCCCOc1ccc(-c2nc(C=O)c(Cl)[nH]2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-3-8-19-11-6-4-10(5-7-11)14-16-12(9-18)13(15)17-14/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyVWCAOXXEWCHTCU-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.72
Rot. Bonds6

About 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde

2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde (PubChem CID 15099320) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde
PubChem CID15099320
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde
SMILESCCCCOc1ccc(-c2nc(C=O)c(Cl)[nH]2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-3-8-19-11-6-4-10(5-7-11)14-16-12(9-18)13(15)17-14/h4-7,9H,2-3,8H2,1H3,(H,16,17)
InChIKeyVWCAOXXEWCHTCU-UHFFFAOYSA-N
XLogP3.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-butoxyphenyl)-1H-1,3,5-triazine-2,4-dione
CID 175078221
1,4-bis(4-hexoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162196378
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
2-(4-decoxyphenyl)pyrimidine-5-carbaldehyde
CID 139641868
5-(4-butoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 2214914
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
4-icosoxybenzaldehyde
CID 23127488
1,4-dipentoxybenzene
CID 18314717
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 13450790
butoxybenzene;propanal
CID 174367271

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde (CID 15099320) is 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde is CCCCOc1ccc(-c2nc(C=O)c(Cl)[nH]2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde?
The InChIKey is VWCAOXXEWCHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-3-8-19-11-6-4-10(5-7-11)14-16-12(9-18)13(15)17-14/h4-7,9H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde?
2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde has a molecular weight of 278.74 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-chloro-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 15099320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).