ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine

C25H31FN4 — CID 143198067

IUPACethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine
SMILESCC.CCC.Cc1[nH]c(-c2ccccc2)nc1-c1ccc(F)cc1.c1cncnc1
InChIInChI=1S/C16H13FN2.C4H4N2.C3H8.C2H6/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-2-5-4-6-3-1;1-3-2;1-2/h2-10H,1H3,(H,18,19);1-4H;3H2,1-2H3;1-2H3
InChIKeyKITOILYGZOZHQW-UHFFFAOYSA-N
MW406.55 g/mol
LogP7.11
Rot. Bonds2

About ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine

ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine (PubChem CID 143198067) has the molecular formula C25H31FN4 and a molecular weight of 406.55 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine
PubChem CID143198067
Molecular FormulaC25H31FN4
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC Nameethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine
SMILESCC.CCC.Cc1[nH]c(-c2ccccc2)nc1-c1ccc(F)cc1.c1cncnc1
InChIInChI=1S/C16H13FN2.C4H4N2.C3H8.C2H6/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-2-5-4-6-3-1;1-3-2;1-2/h2-10H,1H3,(H,18,19);1-4H;3H2,1-2H3;1-2H3
InChIKeyKITOILYGZOZHQW-UHFFFAOYSA-N
XLogP7.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
CID 67847310
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
5-methyl-2-[4-(5-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-1H-imidazole
CID 54390616
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
4-[2-(2-fluorophenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 10060814
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyrazine
CID 20684000
1-ethyl-5-[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-3-methyl-1,2,4-triazole
CID 154821229
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
CID 59384918

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine?
The IUPAC name of ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine (CID 143198067) is ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine?
The canonical SMILES for ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine is CC.CCC.Cc1[nH]c(-c2ccccc2)nc1-c1ccc(F)cc1.c1cncnc1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine?
The InChIKey is KITOILYGZOZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2.C4H4N2.C3H8.C2H6/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13;1-2-5-4-6-3-1;1-3-2;1-2/h2-10H,1H3,(H,18,19);1-4H;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine?
ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine has a molecular weight of 406.55 g/mol, XLogP of 7.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole;propane;pyrimidine is sourced from PubChem (CID 143198067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).