2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide

C28H32FN3O3 — CID 142573940

IUPAC2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide
SMILESCCCN(CC/C=C(/CC)C(=O)C1(O)CC1)C(=O)c1ccc(-c2ccc3c(c2)ncn3C)cc1F
InChIInChI=1S/C28H32FN3O3/c1-4-14-32(15-6-7-19(5-2)26(33)28(35)12-13-28)27(34)22-10-8-20(16-23(22)29)21-9-11-25-24(17-21)30-18-31(25)3/h7-11,16-18,35H,4-6,12-15H2,1-3H3/b19-7-
InChIKeyINSOWXLDFGOLCZ-GXHLCREISA-N
MW477.58 g/mol
LogP5.05
Rot. Bonds10

About 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide

2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide (PubChem CID 142573940) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide
PubChem CID142573940
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide
SMILESCCCN(CC/C=C(/CC)C(=O)C1(O)CC1)C(=O)c1ccc(-c2ccc3c(c2)ncn3C)cc1F
InChIInChI=1S/C28H32FN3O3/c1-4-14-32(15-6-7-19(5-2)26(33)28(35)12-13-28)27(34)22-10-8-20(16-23(22)29)21-9-11-25-24(17-21)30-18-31(25)3/h7-11,16-18,35H,4-6,12-15H2,1-3H3/b19-7-
InChIKeyINSOWXLDFGOLCZ-GXHLCREISA-N
XLogP5.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide?
The IUPAC name of 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide (CID 142573940) is 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide is CCCN(CC/C=C(/CC)C(=O)C1(O)CC1)C(=O)c1ccc(-c2ccc3c(c2)ncn3C)cc1F.
What is the InChIKey of 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide?
The InChIKey is INSOWXLDFGOLCZ-GXHLCREISA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-4-14-32(15-6-7-19(5-2)26(33)28(35)12-13-28)27(34)22-10-8-20(16-23(22)29)21-9-11-25-24(17-21)30-18-31(25)3/h7-11,16-18,35H,4-6,12-15H2,1-3H3/b19-7-.
What are the key properties of 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide?
2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide has a molecular weight of 477.58 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide is sourced from PubChem (CID 142573940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).