4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol

C24H22N2O2 — CID 141179205

IUPAC4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2c(c1)c1cc(OCC3CC3)ccc1c1nc[nH]c21
InChIInChI=1S/C24H22N2O2/c1-24(2,27)10-9-15-5-7-18-20(11-15)21-12-17(28-13-16-3-4-16)6-8-19(21)23-22(18)25-14-26-23/h5-8,11-12,14,16,27H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyOKKUKLXEIKNBBK-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.78
Rot. Bonds3

About 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol

4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol (PubChem CID 141179205) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol
PubChem CID141179205
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc2c(c1)c1cc(OCC3CC3)ccc1c1nc[nH]c21
InChIInChI=1S/C24H22N2O2/c1-24(2,27)10-9-15-5-7-18-20(11-15)21-12-17(28-13-16-3-4-16)6-8-19(21)23-22(18)25-14-26-23/h5-8,11-12,14,16,27H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyOKKUKLXEIKNBBK-UHFFFAOYSA-N
XLogP4.78
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol with MolForge

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Related Compounds

1-[15-(cyclopropylmethoxy)-4-(2,6-dibromophenyl)-3,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1,3,5,7,9,12,14,16-octaen-10-yl]-2-methylpropan-2-ol
CID 135910452
4-(cyclohexylmethoxy)-6-(3-hydroxy-3-methylbut-1-ynyl)-3-thiophen-2-yl-1H-quinolin-2-one
CID 50915294
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
7-(cyclopropylmethoxy)naphthalen-1-ol
CID 167556303
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
CID 23465055
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
2-[6-(cyclopropylmethoxymethyl)-9-(4-hydroxy-4-methylpent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]-5-fluorobenzene-1,3-dicarbonitrile
CID 24827174
pentakis(4-[(4-ethylcyclohexyl)methoxy]benzenethiol);pentahydrofluoride
CID 173376197
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353
4-[4-(cyclopropylmethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214585

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol (CID 141179205) is 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc2c(c1)c1cc(OCC3CC3)ccc1c1nc[nH]c21.
What is the InChIKey of 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is OKKUKLXEIKNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-24(2,27)10-9-15-5-7-18-20(11-15)21-12-17(28-13-16-3-4-16)6-8-19(21)23-22(18)25-14-26-23/h5-8,11-12,14,16,27H,3-4,13H2,1-2H3,(H,25,26).
What are the key properties of 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol?
4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 370.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethoxy)-1H-phenanthro[9,10-d]imidazol-9-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 141179205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).