2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide

C23H26FN5O — CID 166755543

IUPAC2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2F)nc(C2CCCCC2)n1NC
InChIInChI=1S/C23H26FN5O/c1-27-29-21(22(25)26)20(28-23(29)15-8-4-2-5-9-15)18-13-12-17(14-19(18)24)30-16-10-6-3-7-11-16/h3,6-7,10-15,27H,2,4-5,8-9H2,1H3,(H3,25,26)
InChIKeyMNFOCEUMRVLOAJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.99
Rot. Bonds6

About 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide

2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide (PubChem CID 166755543) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide.

Molecular Properties

Compound Name2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide
PubChem CID166755543
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2F)nc(C2CCCCC2)n1NC
InChIInChI=1S/C23H26FN5O/c1-27-29-21(22(25)26)20(28-23(29)15-8-4-2-5-9-15)18-13-12-17(14-19(18)24)30-16-10-6-3-7-11-16/h3,6-7,10-15,27H,2,4-5,8-9H2,1H3,(H3,25,26)
InChIKeyMNFOCEUMRVLOAJ-UHFFFAOYSA-N
XLogP4.99
TPSA88.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 156857303
5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
(Z)-1-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-isocyano-3-(4-methyloxan-4-yl)prop-2-en-1-one
CID 140930518
4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083727
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
(E)-3-[4-amino-7-cyclopentyl-5-(2-fluoro-4-phenoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]prop-2-enoic acid
CID 66612229
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 150345252
4-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083354
(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine
CID 175300662
1-[4-[7-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294657
2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 175809823

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide?
The IUPAC name of 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide (CID 166755543) is 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide.
What is the SMILES notation for 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide?
The canonical SMILES for 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2F)nc(C2CCCCC2)n1NC.
What is the InChIKey of 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide?
The InChIKey is MNFOCEUMRVLOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-27-29-21(22(25)26)20(28-23(29)15-8-4-2-5-9-15)18-13-12-17(14-19(18)24)30-16-10-6-3-7-11-16/h3,6-7,10-15,27H,2,4-5,8-9H2,1H3,(H3,25,26).
What are the key properties of 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide?
2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide has a molecular weight of 407.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide is sourced from PubChem (CID 166755543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).