N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide

C21H27N5O2 — CID 166236141

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide
SMILESO=C(CCCc1ccccc1)N1CCN(C(=O)NC2CCn3ccnc32)CC1
InChIInChI=1S/C21H27N5O2/c27-19(8-4-7-17-5-2-1-3-6-17)24-13-15-26(16-14-24)21(28)23-18-9-11-25-12-10-22-20(18)25/h1-3,5-6,10,12,18H,4,7-9,11,13-16H2,(H,23,28)
InChIKeyXREODZPBYHODMH-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.20
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide

N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide (PubChem CID 166236141) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide
PubChem CID166236141
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide
SMILESO=C(CCCc1ccccc1)N1CCN(C(=O)NC2CCn3ccnc32)CC1
InChIInChI=1S/C21H27N5O2/c27-19(8-4-7-17-5-2-1-3-6-17)24-13-15-26(16-14-24)21(28)23-18-9-11-25-12-10-22-20(18)25/h1-3,5-6,10,12,18H,4,7-9,11,13-16H2,(H,23,28)
InChIKeyXREODZPBYHODMH-UHFFFAOYSA-N
XLogP2.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide (CID 166236141) is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide is O=C(CCCc1ccccc1)N1CCN(C(=O)NC2CCn3ccnc32)CC1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide?
The InChIKey is XREODZPBYHODMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-19(8-4-7-17-5-2-1-3-6-17)24-13-15-26(16-14-24)21(28)23-18-9-11-25-12-10-22-20(18)25/h1-3,5-6,10,12,18H,4,7-9,11,13-16H2,(H,23,28).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-4-(4-phenylbutanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 166236141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).