N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen

C16H23F2N5O2 — CID 166480957

IUPACN-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
SMILESCO.O=C(NC1CCCCC1)c1nc(C(F)F)cc(-n2ccnc2)n1.[H][H]
InChIInChI=1S/C15H17F2N5O.CH4O.H2/c16-13(17)11-8-12(22-7-6-18-9-22)21-14(20-11)15(23)19-10-4-2-1-3-5-10;1-2;/h6-10,13H,1-5H2,(H,19,23);2H,1H3;1H
InChIKeyVAVPGGUPEKIBSU-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.52
Rot. Bonds4

About N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen

N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen (PubChem CID 166480957) has the molecular formula C16H23F2N5O2 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
PubChem CID166480957
Molecular FormulaC16H23F2N5O2
Molecular Weight355.39 g/mol
Exact Mass355.18
IUPAC NameN-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
SMILESCO.O=C(NC1CCCCC1)c1nc(C(F)F)cc(-n2ccnc2)n1.[H][H]
InChIInChI=1S/C15H17F2N5O.CH4O.H2/c16-13(17)11-8-12(22-7-6-18-9-22)21-14(20-11)15(23)19-10-4-2-1-3-5-10;1-2;/h6-10,13H,1-5H2,(H,19,23);2H,1H3;1H
InChIKeyVAVPGGUPEKIBSU-UHFFFAOYSA-N
XLogP2.52
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
CID 166480910
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481422
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
CID 70887053
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen?
The IUPAC name of N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen (CID 166480957) is N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen is CO.O=C(NC1CCCCC1)c1nc(C(F)F)cc(-n2ccnc2)n1.[H][H].
What is the InChIKey of N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen?
The InChIKey is VAVPGGUPEKIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O.CH4O.H2/c16-13(17)11-8-12(22-7-6-18-9-22)21-14(20-11)15(23)19-10-4-2-1-3-5-10;1-2;/h6-10,13H,1-5H2,(H,19,23);2H,1H3;1H.
What are the key properties of N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen?
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen has a molecular weight of 355.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen is sourced from PubChem (CID 166480957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).