N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide

C28H37FN4O2 — CID 142917204

IUPACN-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(C3=CC(NC(C)=O)=CCC3)CC2)C1=O
InChIInChI=1S/C28H37FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h8-12,19,22H,4-7,13-18H2,1-3H3,(H,30,34)/t28-/m0/s1
InChIKeyBHGZOFYFIWMIHO-NDEPHWFRSA-N
MW480.63 g/mol
LogP4.53
Rot. Bonds8

About N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide

N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 142917204) has the molecular formula C28H37FN4O2 and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide
PubChem CID142917204
Molecular FormulaC28H37FN4O2
Molecular Weight480.63 g/mol
Exact Mass480.29
IUPAC NameN-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(C3=CC(NC(C)=O)=CCC3)CC2)C1=O
InChIInChI=1S/C28H37FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h8-12,19,22H,4-7,13-18H2,1-3H3,(H,30,34)/t28-/m0/s1
InChIKeyBHGZOFYFIWMIHO-NDEPHWFRSA-N
XLogP4.53
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1,4,4-trimethyl-6-oxo-2-phenyl-5H-pyrimidin-5-yl)pentanamide
CID 44344993
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136216801
N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-(4-fluorophenyl)acetamide
CID 44826686
4-fluoro-N-({1-[(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)acetyl]-3-piperidinyl}methyl)benzamide
CID 135907202
(6aS,9aR)-8-[2-(3-fluorophenyl)acetyl]-2-methyl-5,6,6a,7,9,9a-hexahydro-3H-pyrrolo[3,4-h]quinazolin-4-one
CID 136680936
2-methyl-4-[(3S)-1-(1-phenylcyclopentanecarbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136699234
5,5-Bis(4-fluorophenyl)-2-methyl-3-(pyrrolidin-3-ylmethyl)imidazol-4-one
CID 10028237
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
Tert-butyl 4-[[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 10074015
1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 10077496
3-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 10257420

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide (CID 142917204) is N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide is CC[C@@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(C3=CC(NC(C)=O)=CCC3)CC2)C1=O.
What is the InChIKey of N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is BHGZOFYFIWMIHO-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H37FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h8-12,19,22H,4-7,13-18H2,1-3H3,(H,30,34)/t28-/m0/s1.
What are the key properties of N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide?
N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-[(4S)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 142917204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).