N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide

C22H27N5O — CID 50967218

IUPACN-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)c1C
InChIInChI=1S/C22H27N5O/c1-15-12-20(16(2)27(15)25-17(3)28)22-21(18-8-5-4-6-9-18)24-14-26(22)13-19-10-7-11-23-19/h4-6,8-9,12,14,19,23H,7,10-11,13H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyLLHMQCPFEOFYCA-LJQANCHMSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds5

About N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide

N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide (PubChem CID 50967218) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide
PubChem CID50967218
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)c1C
InChIInChI=1S/C22H27N5O/c1-15-12-20(16(2)27(15)25-17(3)28)22-21(18-8-5-4-6-9-18)24-14-26(22)13-19-10-7-11-23-19/h4-6,8-9,12,14,19,23H,7,10-11,13H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyLLHMQCPFEOFYCA-LJQANCHMSA-N
XLogP3.48
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide (CID 50967218) is N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide is CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCN2)c1C.
What is the InChIKey of N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide?
The InChIKey is LLHMQCPFEOFYCA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-12-20(16(2)27(15)25-17(3)28)22-21(18-8-5-4-6-9-18)24-14-26(22)13-19-10-7-11-23-19/h4-6,8-9,12,14,19,23H,7,10-11,13H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide?
N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 50967218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).