3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone

C14H14N2O2 — CID 65407973

IUPAC3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H14N2O2/c1-16-7-6-15-14(16)13(17)11-8-10-4-2-3-5-12(10)18-9-11/h2-7,11H,8-9H2,1H3
InChIKeyBNLZWCOLFZUSPD-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.85
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone (PubChem CID 65407973) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
PubChem CID65407973
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H14N2O2/c1-16-7-6-15-14(16)13(17)11-8-10-4-2-3-5-12(10)18-9-11/h2-7,11H,8-9H2,1H3
InChIKeyBNLZWCOLFZUSPD-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97138813
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272621
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
3,4-dihydro-2H-chromen-3-yl-(2,4-dimethylphenyl)methanone
CID 65406634
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone (CID 65407973) is 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone?
The InChIKey is BNLZWCOLFZUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-7-6-15-14(16)13(17)11-8-10-4-2-3-5-12(10)18-9-11/h2-7,11H,8-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 65407973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).