4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

C20H21FN4O2 — CID 46837667

IUPAC4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCC(O)CC3)c2)[nH]1
InChIInChI=1S/C20H21FN4O2/c21-14-3-1-12(2-4-14)18-19(25-20(27)24-18)13-9-10-22-17(11-13)23-15-5-7-16(26)8-6-15/h1-4,9-11,15-16,26H,5-8H2,(H,22,23)(H2,24,25,27)
InChIKeyKXTYCYFHUXYZOR-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.29
Rot. Bonds4

About 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one

4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (PubChem CID 46837667) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
PubChem CID46837667
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCC(O)CC3)c2)[nH]1
InChIInChI=1S/C20H21FN4O2/c21-14-3-1-12(2-4-14)18-19(25-20(27)24-18)13-9-10-22-17(11-13)23-15-5-7-16(26)8-6-15/h1-4,9-11,15-16,26H,5-8H2,(H,22,23)(H2,24,25,27)
InChIKeyKXTYCYFHUXYZOR-UHFFFAOYSA-N
XLogP3.29
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one (CID 46837667) is 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(NC3CCC(O)CC3)c2)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
The InChIKey is KXTYCYFHUXYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-14-3-1-12(2-4-14)18-19(25-20(27)24-18)13-9-10-22-17(11-13)23-15-5-7-16(26)8-6-15/h1-4,9-11,15-16,26H,5-8H2,(H,22,23)(H2,24,25,27).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one?
4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one has a molecular weight of 368.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 46837667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).