2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one

C22H25F2N5O2 — CID 138468310

IUPAC2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one
SMILESCc1cc(C2(C3CCCC(c4cncnc4)C3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C22H25F2N5O2/c1-13-8-17(6-7-18(13)31-20(23)24)22(19(30)29(2)21(25)28-22)16-5-3-4-14(9-16)15-10-26-12-27-11-15/h6-8,10-12,14,16,20H,3-5,9H2,1-2H3,(H2,25,28)
InChIKeyITVGIXRDECNZAC-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.34
Rot. Bonds5

About 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one

2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one (PubChem CID 138468310) has the molecular formula C22H25F2N5O2 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one
PubChem CID138468310
Molecular FormulaC22H25F2N5O2
Molecular Weight429.47 g/mol
Exact Mass429.20
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one
SMILESCc1cc(C2(C3CCCC(c4cncnc4)C3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C22H25F2N5O2/c1-13-8-17(6-7-18(13)31-20(23)24)22(19(30)29(2)21(25)28-22)16-5-3-4-14(9-16)15-10-26-12-27-11-15/h6-8,10-12,14,16,20H,3-5,9H2,1-2H3,(H2,25,28)
InChIKeyITVGIXRDECNZAC-UHFFFAOYSA-N
XLogP3.34
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one (CID 138468310) is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one is Cc1cc(C2(C3CCCC(c4cncnc4)C3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one?
The InChIKey is ITVGIXRDECNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O2/c1-13-8-17(6-7-18(13)31-20(23)24)22(19(30)29(2)21(25)28-22)16-5-3-4-14(9-16)15-10-26-12-27-11-15/h6-8,10-12,14,16,20H,3-5,9H2,1-2H3,(H2,25,28).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one has a molecular weight of 429.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-5-ylcyclohexyl)imidazol-4-one is sourced from PubChem (CID 138468310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).