2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

C27H33ClN4O2 — CID 90370590

IUPAC2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C27H33ClN4O2/c1-20(2)29-26(33)19-32-18-25(30-27(32)22-7-6-8-23(28)17-22)21-9-11-24(12-10-21)34-16-15-31-13-4-3-5-14-31/h6-12,17-18,20H,3-5,13-16,19H2,1-2H3,(H,29,33)
InChIKeyWQZUHKUGMPHILT-UHFFFAOYSA-N
MW481.04 g/mol
LogP5.26
Rot. Bonds9

About 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370590) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370590
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C27H33ClN4O2/c1-20(2)29-26(33)19-32-18-25(30-27(32)22-7-6-8-23(28)17-22)21-9-11-24(12-10-21)34-16-15-31-13-4-3-5-14-31/h6-12,17-18,20H,3-5,13-16,19H2,1-2H3,(H,29,33)
InChIKeyWQZUHKUGMPHILT-UHFFFAOYSA-N
XLogP5.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370590) is 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WQZUHKUGMPHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c1-20(2)29-26(33)19-32-18-25(30-27(32)22-7-6-8-23(28)17-22)21-9-11-24(12-10-21)34-16-15-31-13-4-3-5-14-31/h6-12,17-18,20H,3-5,13-16,19H2,1-2H3,(H,29,33).
What are the key properties of 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 481.04 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).