[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide

C15H18N4O2 — CID 88622451

IUPAC[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide
SMILESCC1(C)Oc2ccccc2C(N2CCN=C2NC#N)C1O
InChIInChI=1S/C15H18N4O2/c1-15(2)13(20)12(10-5-3-4-6-11(10)21-15)19-8-7-17-14(19)18-9-16/h3-6,12-13,20H,7-8H2,1-2H3,(H,17,18)
InChIKeyZLTQNWMVOYKJPI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.00
Rot. Bonds1

About [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide

[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide (PubChem CID 88622451) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide.

Molecular Properties

Compound Name[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide
PubChem CID88622451
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide
SMILESCC1(C)Oc2ccccc2C(N2CCN=C2NC#N)C1O
InChIInChI=1S/C15H18N4O2/c1-15(2)13(20)12(10-5-3-4-6-11(10)21-15)19-8-7-17-14(19)18-9-16/h3-6,12-13,20H,7-8H2,1-2H3,(H,17,18)
InChIKeyZLTQNWMVOYKJPI-UHFFFAOYSA-N
XLogP1.00
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[1-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5-dihydroimidazol-2-yl]cyanamide
CID 15680857
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134968733
3-(azepan-1-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187151
(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-5-carbonitrile;hydrochloride
CID 13223011
2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187161
(3S,4R)-4-anilino-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134962295
(3R,4S)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile;hydrochloride
CID 70411192
(3R,4S)-4-(dimethylamino)-2,2-dimethyl-3,4-dihydrochromen-3-ol;hydrochloride
CID 70620580
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopiperazin-1-yl)-3,4-dihydrochromene-6-carbonitrile;hydrochloride
CID 139667245
1-[(3R,4S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-4-yl]pyrrolidin-2-one
CID 54568412
ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
CID 90742078

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide?
The IUPAC name of [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide (CID 88622451) is [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide.
What is the SMILES notation for [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide?
The canonical SMILES for [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide is CC1(C)Oc2ccccc2C(N2CCN=C2NC#N)C1O.
What is the InChIKey of [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide?
The InChIKey is ZLTQNWMVOYKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)13(20)12(10-5-3-4-6-11(10)21-15)19-8-7-17-14(19)18-9-16/h3-6,12-13,20H,7-8H2,1-2H3,(H,17,18).
What are the key properties of [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide?
[1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide has a molecular weight of 286.33 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4,5-dihydroimidazol-2-yl]cyanamide is sourced from PubChem (CID 88622451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).