(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C17H21N5O2 — CID 18447847

IUPAC(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C=NCCC3)cc1)C2
InChIInChI=1S/C17H21N5O2/c18-15(23)17-7-1-10-22(17)16(24)21(11-17)14-5-3-13(4-6-14)20-9-2-8-19-12-20/h3-6,12H,1-2,7-11H2,(H2,18,23)/t17-/m1/s1
InChIKeyIZLLMXPHBVNTGK-QGZVFWFLSA-N
MW327.39 g/mol
LogP1.18
Rot. Bonds3

About (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447847) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447847
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C=NCCC3)cc1)C2
InChIInChI=1S/C17H21N5O2/c18-15(23)17-7-1-10-22(17)16(24)21(11-17)14-5-3-13(4-6-14)20-9-2-8-19-12-20/h3-6,12H,1-2,7-11H2,(H2,18,23)/t17-/m1/s1
InChIKeyIZLLMXPHBVNTGK-QGZVFWFLSA-N
XLogP1.18
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide with MolForge

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Related Compounds

(1E)-1-(1-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene)-3-phenylurea
CID 136106107
2-{4-[4-(4-aminophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10833050
(3E)-1-(2-methylphenyl)-3-(1-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene)urea
CID 136106110
1-(1-Oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene)-3-phenylurea
CID 172050919
1-(2-Methylphenyl)-3-(1-oxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene)urea
CID 172051004
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045021
1,3-dioxo-N-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 11550649
(7aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447851
(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447853
(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447860
(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447861
(7aR)-3-oxo-2-[4-(2-oxopiperidin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447862

Frequently Asked Questions

What is the IUPAC name of (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447847) is (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C=NCCC3)cc1)C2.
What is the InChIKey of (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is IZLLMXPHBVNTGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-15(23)17-7-1-10-22(17)16(24)21(11-17)14-5-3-13(4-6-14)20-9-2-8-19-12-20/h3-6,12H,1-2,7-11H2,(H2,18,23)/t17-/m1/s1.
What are the key properties of (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-[4-(5,6-dihydro-4H-pyrimidin-1-yl)phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).