4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide

C21H23ClN4O2 — CID 21428850

IUPAC4-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=C(C=C4)Cl
InChIInChI=1S/C21H23ClN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-8,17H,9-14H2,(H,23,27)(H,24,28)
InChIKeySEPMEKJITYIWGF-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.60
Rot. Bonds5

About 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide

4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide (PubChem CID 21428850) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
PubChem CID21428850
Molecular FormulaC21H23ClN4O2
Molecular Weight398.90 g/mol
Exact Mass398.15
IUPAC Name4-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=C(C=C4)Cl
InChIInChI=1S/C21H23ClN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-8,17H,9-14H2,(H,23,27)(H,24,28)
InChIKeySEPMEKJITYIWGF-UHFFFAOYSA-N
XLogP3.60
TPSA64.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity559

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The IUPAC name of 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide (CID 21428850) is 4-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The canonical SMILES for 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide is C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC=C(C=C4)Cl.
What is the InChIKey of 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The InChIKey is SEPMEKJITYIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-8,17H,9-14H2,(H,23,27)(H,24,28).
What are the key properties of 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide has a molecular weight of 398.90 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide is sourced from PubChem (CID 21428850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).