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

C26H31ClN4O2 — CID 10600310

IUPACN-(3-chlorophenyl)-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)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H31ClN4O2/c1-4-25(32)31(22-9-7-8-20(27)18-22)21-12-14-28(15-13-21)16-17-29-23-10-5-6-11-24(23)30(19(2)3)26(29)33/h5-11,18,21H,2,4,12-17H2,1,3H3
InChIKeyGTFUIVFMMYKZKW-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.85
Rot. Bonds7

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

N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 10600310) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID10600310
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC NameN-(3-chlorophenyl)-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)c3cccc(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C26H31ClN4O2/c1-4-25(32)31(22-9-7-8-20(27)18-22)21-12-14-28(15-13-21)16-17-29-23-10-5-6-11-24(23)30(19(2)3)26(29)33/h5-11,18,21H,2,4,12-17H2,1,3H3
InChIKeyGTFUIVFMMYKZKW-UHFFFAOYSA-N
XLogP4.85
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (CID 10600310) is N-(3-chlorophenyl)-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-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-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)c3cccc(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is GTFUIVFMMYKZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-4-25(32)31(22-9-7-8-20(27)18-22)21-12-14-28(15-13-21)16-17-29-23-10-5-6-11-24(23)30(19(2)3)26(29)33/h5-11,18,21H,2,4,12-17H2,1,3H3.
What are the key properties of N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 467.01 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 10600310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).