1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid

C23H29N3O4 — CID 171710054

IUPAC1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid
SMILESCOc1cccc(-c2ncn(CCN3CCCC3=O)c2C2CC=CCC2)c1.O=CO
InChIInChI=1S/C22H27N3O2.CH2O2/c1-27-19-10-5-9-18(15-19)21-22(17-7-3-2-4-8-17)25(16-23-21)14-13-24-12-6-11-20(24)26;2-1-3/h2-3,5,9-10,15-17H,4,6-8,11-14H2,1H3;1H,(H,2,3)
InChIKeyPTHSGYGRCCLMTL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid

1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid (PubChem CID 171710054) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid.

Molecular Properties

Compound Name1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid
PubChem CID171710054
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid
SMILESCOc1cccc(-c2ncn(CCN3CCCC3=O)c2C2CC=CCC2)c1.O=CO
InChIInChI=1S/C22H27N3O2.CH2O2/c1-27-19-10-5-9-18(15-19)21-22(17-7-3-2-4-8-17)25(16-23-21)14-13-24-12-6-11-20(24)26;2-1-3/h2-3,5,9-10,15-17H,4,6-8,11-14H2,1H3;1H,(H,2,3)
InChIKeyPTHSGYGRCCLMTL-UHFFFAOYSA-N
XLogP3.71
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid 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-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid
CID 171710035
5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172673795
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
CID 25465196
1-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111023053
1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117084319
1-[2-[(2R)-2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92616363
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid?
The IUPAC name of 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid (CID 171710054) is 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid.
What is the SMILES notation for 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid?
The canonical SMILES for 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid is COc1cccc(-c2ncn(CCN3CCCC3=O)c2C2CC=CCC2)c1.O=CO.
What is the InChIKey of 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid?
The InChIKey is PTHSGYGRCCLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.CH2O2/c1-27-19-10-5-9-18(15-19)21-22(17-7-3-2-4-8-17)25(16-23-21)14-13-24-12-6-11-20(24)26;2-1-3/h2-3,5,9-10,15-17H,4,6-8,11-14H2,1H3;1H,(H,2,3).
What are the key properties of 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid?
1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid has a molecular weight of 411.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid is sourced from PubChem (CID 171710054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).