1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde

C14H14N2O2 — CID 104769066

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C14H14N2O2/c17-10-14-15-6-7-16(14)9-11-5-8-18-13-4-2-1-3-12(11)13/h1-4,6-7,10-11H,5,8-9H2
InChIKeyMIHDNAJZNIXIDN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.26
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde

1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde (PubChem CID 104769066) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
PubChem CID104769066
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nccn1CC1CCOc2ccccc21
InChIInChI=1S/C14H14N2O2/c17-10-14-15-6-7-16(14)9-11-5-8-18-13-4-2-1-3-12(11)13/h1-4,6-7,10-11H,5,8-9H2
InChIKeyMIHDNAJZNIXIDN-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-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

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
CID 104769067
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-iodopyrimidin-4-one
CID 114583740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde (CID 104769066) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde is O=Cc1nccn1CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde?
The InChIKey is MIHDNAJZNIXIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-10-14-15-6-7-16(14)9-11-5-8-18-13-4-2-1-3-12(11)13/h1-4,6-7,10-11H,5,8-9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 104769066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).