5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole

C27H25N5O — CID 118569263

IUPAC5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole
SMILESCC(C)c1ncc(-c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4ocnc4c3c2)[nH]1
InChIInChI=1S/C27H25N5O/c1-14(2)26-28-11-22(31-26)16-5-7-18-19-8-6-17(23-12-29-27(32-23)15(3)4)10-21(19)25-24(20(18)9-16)30-13-33-25/h5-15H,1-4H3,(H,28,31)(H,29,32)
InChIKeyOJZQKECVLNHQDE-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.16
Rot. Bonds4

About 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole

5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole (PubChem CID 118569263) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole
PubChem CID118569263
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole
SMILESCC(C)c1ncc(-c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4ocnc4c3c2)[nH]1
InChIInChI=1S/C27H25N5O/c1-14(2)26-28-11-22(31-26)16-5-7-18-19-8-6-17(23-12-29-27(32-23)15(3)4)10-21(19)25-24(20(18)9-16)30-13-33-25/h5-15H,1-4H3,(H,28,31)(H,29,32)
InChIKeyOJZQKECVLNHQDE-UHFFFAOYSA-N
XLogP7.16
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[10,9-b]furan-10-yl]-1,3-dihydroimidazole-2-thione
CID 146518315
2-propan-2-yl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1H-imidazole
CID 118569264
N-methyl-1-[[5-[5-(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]oxazol-10-yl]-1H-imidazol-2-yl]sulfanyl]methanamine
CID 146518822
11-(2-propan-2-yl-1H-imidazol-5-yl)-6-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]pyrimidine
CID 159065421
2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
CID 118569255
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
4-propan-2-yl-15-[6-(2-propan-2-yl-1H-imidazol-5-yl)-1-benzothiophen-2-yl]-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaene
CID 134269837
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
6,13-bis(2-propan-2-yl-1H-imidazol-5-yl)-2,10-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-3,9-dione
CID 118569262
2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
CID 157068322
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123475669
2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole
CID 134270701

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole (CID 118569263) is 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole is CC(C)c1ncc(-c2ccc3c4ccc(-c5cnc(C(C)C)[nH]5)cc4c4ocnc4c3c2)[nH]1.
What is the InChIKey of 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole?
The InChIKey is OJZQKECVLNHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-14(2)26-28-11-22(31-26)16-5-7-18-19-8-6-17(23-12-29-27(32-23)15(3)4)10-21(19)25-24(20(18)9-16)30-13-33-25/h5-15H,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole?
5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole has a molecular weight of 435.53 g/mol, XLogP of 7.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 118569263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).