[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone

C28H29FN4O — CID 141178383

IUPAC[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone
SMILESCN1CC(c2cccc(-c3cccc(F)c3)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C28H29FN4O/c1-32-19-28(31-27(32)30,24-11-5-9-21(17-24)22-10-6-12-25(29)18-22)23-13-15-33(16-14-23)26(34)20-7-3-2-4-8-20/h2-12,17-18,23H,13-16,19H2,1H3,(H2,30,31)
InChIKeyLHRWJGSPLCHADJ-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.50
Rot. Bonds4

About [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone

[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 141178383) has the molecular formula C28H29FN4O and a molecular weight of 456.57 g/mol. Its IUPAC name is [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone
PubChem CID141178383
Molecular FormulaC28H29FN4O
Molecular Weight456.57 g/mol
Exact Mass456.23
IUPAC Name[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone
SMILESCN1CC(c2cccc(-c3cccc(F)c3)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C28H29FN4O/c1-32-19-28(31-27(32)30,24-11-5-9-21(17-24)22-10-6-12-25(29)18-22)23-13-15-33(16-14-23)26(34)20-7-3-2-4-8-20/h2-12,17-18,23H,13-16,19H2,1H3,(H2,30,31)
InChIKeyLHRWJGSPLCHADJ-UHFFFAOYSA-N
XLogP4.50
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine
CID 141178382
1-[3-[3-(2-amino-3-methyl-5-phenyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141178360
2-amino-5-(1-benzoylpiperidin-4-yl)-5-(3-bromophenyl)-3-methylimidazol-4-one
CID 58946127
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone
CID 117045638

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone (CID 141178383) is [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone is CN1CC(c2cccc(-c3cccc(F)c3)c2)(C2CCN(C(=O)c3ccccc3)CC2)N=C1N.
What is the InChIKey of [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is LHRWJGSPLCHADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O/c1-32-19-28(31-27(32)30,24-11-5-9-21(17-24)22-10-6-12-25(29)18-22)23-13-15-33(16-14-23)26(34)20-7-3-2-4-8-20/h2-12,17-18,23H,13-16,19H2,1H3,(H2,30,31).
What are the key properties of [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone?
[4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 456.57 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-4H-imidazol-5-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 141178383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).