N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide

C26H30Cl2N4O2 — CID 10839138

IUPACN-(2,5-dichlorophenyl)-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)c3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3
InChIKeyDPGPXZCLSCXCQW-UHFFFAOYSA-N
MW501.46 g/mol
LogP5.51
Rot. Bonds7

About N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide

N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 10839138) has the molecular formula C26H30Cl2N4O2 and a molecular weight of 501.46 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID10839138
Molecular FormulaC26H30Cl2N4O2
Molecular Weight501.46 g/mol
Exact Mass500.17
IUPAC NameN-(2,5-dichlorophenyl)-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)c3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3
InChIKeyDPGPXZCLSCXCQW-UHFFFAOYSA-N
XLogP5.51
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.46
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide (CID 10839138) is N-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-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)c3cc(Cl)ccc3Cl)CC2)c2ccccc21.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is DPGPXZCLSCXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide?
N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 501.46 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[1-[2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 10839138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).