N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide

C26H30ClFN4O2 — CID 10624746

IUPACN-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
SMILESC=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3ccc(F)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H30ClFN4O2/c1-4-25(33)32(20-9-10-22(28)21(27)17-20)19-11-13-29(14-12-19)15-16-30-23-7-5-6-8-24(23)31(18(2)3)26(30)34/h5-10,17,19H,2,4,11-16H2,1,3H3
InChIKeyGUFVVASQRAEHGE-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.99
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 10624746) has the molecular formula C26H30ClFN4O2 and a molecular weight of 485.00 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID10624746
Molecular FormulaC26H30ClFN4O2
Molecular Weight485.00 g/mol
Exact Mass484.20
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
SMILESC=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3ccc(F)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H30ClFN4O2/c1-4-25(33)32(20-9-10-22(28)21(27)17-20)19-11-13-29(14-12-19)15-16-30-23-7-5-6-8-24(23)31(18(2)3)26(30)34/h5-10,17,19H,2,4,11-16H2,1,3H3
InChIKeyGUFVVASQRAEHGE-UHFFFAOYSA-N
XLogP4.99
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide 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 N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (CID 10624746) is N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide is C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3ccc(F)c(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is GUFVVASQRAEHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O2/c1-4-25(33)32(20-9-10-22(28)21(27)17-20)19-11-13-29(14-12-19)15-16-30-23-7-5-6-8-24(23)31(18(2)3)26(30)34/h5-10,17,19H,2,4,11-16H2,1,3H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 485.00 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 10624746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).