1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C22H25FN4O2 — CID 136526977

IUPAC1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1
InChIInChI=1S/C22H25FN4O2/c1-16-4-2-3-5-17(16)15-25-10-12-26(13-11-25)21(28)19-14-18(6-7-20(19)23)27-9-8-24-22(27)29/h2-7,14H,8-13,15H2,1H3,(H,24,29)
InChIKeyQHJSKIZQGMSUAU-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 136526977) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID136526977
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1
InChIInChI=1S/C22H25FN4O2/c1-16-4-2-3-5-17(16)15-25-10-12-26(13-11-25)21(28)19-14-18(6-7-20(19)23)27-9-8-24-22(27)29/h2-7,14H,8-13,15H2,1H3,(H,24,29)
InChIKeyQHJSKIZQGMSUAU-UHFFFAOYSA-N
XLogP2.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one 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

1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507
1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136511592
[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110399164
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256811
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
methyl (3S)-1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-phenylpyrrolidine-3-carboxylate
CID 124882733
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
1-[3-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
CID 139009306

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 136526977) is 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one is Cc1ccccc1CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1.
What is the InChIKey of 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is QHJSKIZQGMSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-16-4-2-3-5-17(16)15-25-10-12-26(13-11-25)21(28)19-14-18(6-7-20(19)23)27-9-8-24-22(27)29/h2-7,14H,8-13,15H2,1H3,(H,24,29).
What are the key properties of 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 396.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 136526977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).