2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide

C25H30ClN5O2 — CID 86580711

IUPAC2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cn2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN5O2/c1-18(2)28-24(32)17-31-16-23(29-25(31)20-4-3-5-21(26)14-20)22-7-6-19(15-27-22)8-9-30-10-12-33-13-11-30/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,32)
InChIKeyFIVGZHVQZQVOBB-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.66
Rot. Bonds8

About 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 86580711) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID86580711
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cn2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN5O2/c1-18(2)28-24(32)17-31-16-23(29-25(31)20-4-3-5-21(26)14-20)22-7-6-19(15-27-22)8-9-30-10-12-33-13-11-30/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,32)
InChIKeyFIVGZHVQZQVOBB-UHFFFAOYSA-N
XLogP3.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 86580711) is 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cn2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FIVGZHVQZQVOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-18(2)28-24(32)17-31-16-23(29-25(31)20-4-3-5-21(26)14-20)22-7-6-19(15-27-22)8-9-30-10-12-33-13-11-30/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,32).
What are the key properties of 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 468.00 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86580711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).