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

C25H34ClN5O3 — CID 90370436

IUPAC2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)N2CCC(CCN3CCOCC3)C2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C25H34ClN5O3/c1-18(2)27-23(32)17-31-16-22(28-24(31)20-4-3-5-21(26)14-20)25(33)30-9-7-19(15-30)6-8-29-10-12-34-13-11-29/h3-5,14,16,18-19H,6-13,15,17H2,1-2H3,(H,27,32)
InChIKeyUMBLRSLLJNBNPZ-UHFFFAOYSA-N
MW488.03 g/mol
LogP2.91
Rot. Bonds8

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

2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370436) has the molecular formula C25H34ClN5O3 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370436
Molecular FormulaC25H34ClN5O3
Molecular Weight488.03 g/mol
Exact Mass487.24
IUPAC Name2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(=O)N2CCC(CCN3CCOCC3)C2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C25H34ClN5O3/c1-18(2)27-23(32)17-31-16-22(28-24(31)20-4-3-5-21(26)14-20)25(33)30-9-7-19(15-30)6-8-29-10-12-34-13-11-29/h3-5,14,16,18-19H,6-13,15,17H2,1-2H3,(H,27,32)
InChIKeyUMBLRSLLJNBNPZ-UHFFFAOYSA-N
XLogP2.91
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 52.91
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-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370436) is 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(C(=O)N2CCC(CCN3CCOCC3)C2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UMBLRSLLJNBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O3/c1-18(2)27-23(32)17-31-16-22(28-24(31)20-4-3-5-21(26)14-20)25(33)30-9-7-19(15-30)6-8-29-10-12-34-13-11-29/h3-5,14,16,18-19H,6-13,15,17H2,1-2H3,(H,27,32).
What are the key properties of 2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 488.03 g/mol, XLogP of 2.91, 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-[3-(2-morpholin-4-ylethyl)pyrrolidine-1-carbonyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).