2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde

C20H16N2O2 — CID 174678056

IUPAC2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
SMILESO=CC1C(c2ccccc2)=C(Cn2ccnc2)Oc2ccccc21
InChIInChI=1S/C20H16N2O2/c23-13-17-16-8-4-5-9-18(16)24-19(12-22-11-10-21-14-22)20(17)15-6-2-1-3-7-15/h1-11,13-14,17H,12H2
InChIKeyQGFUJZAUKRUAFW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.67
Rot. Bonds4

About 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde

2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde (PubChem CID 174678056) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
PubChem CID174678056
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
SMILESO=CC1C(c2ccccc2)=C(Cn2ccnc2)Oc2ccccc21
InChIInChI=1S/C20H16N2O2/c23-13-17-16-8-4-5-9-18(16)24-19(12-22-11-10-21-14-22)20(17)15-6-2-1-3-7-15/h1-11,13-14,17H,12H2
InChIKeyQGFUJZAUKRUAFW-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.67
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

3-(3,5-difluorophenyl)-2-ethyl-4H-chromene-4-carbaldehyde
CID 174801175
benzaldehyde;1-benzylimidazole
CID 23446402
6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
CID 71463812
2-(bromomethyl)-3-(2-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174801140
2,3-diphenylcycloprop-2-ene-1-carbaldehyde
CID 12749987
2-[1-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenyl-4H-chromene-4-carbaldehyde
CID 174677987
3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
CID 14575017
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
CID 58482968
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
CID 131736320
1-[(2-methyl-2H-chromen-3-yl)methyl]imidazole
CID 151011265
1-[(3-phenylpyrrol-1-yl)methyl]imidazole
CID 141118913

Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The IUPAC name of 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde (CID 174678056) is 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde is O=CC1C(c2ccccc2)=C(Cn2ccnc2)Oc2ccccc21.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The InChIKey is QGFUJZAUKRUAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-13-17-16-8-4-5-9-18(16)24-19(12-22-11-10-21-14-22)20(17)15-6-2-1-3-7-15/h1-11,13-14,17H,12H2.
What are the key properties of 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde has a molecular weight of 316.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174678056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).