(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C18H22N4O3 — CID 18447867

IUPAC(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(C(=O)N3CCCC3)cc1)C2
InChIInChI=1S/C18H22N4O3/c19-16(24)18-8-3-11-22(18)17(25)21(12-18)14-6-4-13(5-7-14)15(23)20-9-1-2-10-20/h4-7H,1-3,8-12H2,(H2,19,24)/t18-/m1/s1
InChIKeyHUZQAWOVPZMASL-GOSISDBHSA-N
MW342.40 g/mol
LogP1.18
Rot. Bonds3

About (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447867) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447867
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(C(=O)N3CCCC3)cc1)C2
InChIInChI=1S/C18H22N4O3/c19-16(24)18-8-3-11-22(18)17(25)21(12-18)14-6-4-13(5-7-14)15(23)20-9-1-2-10-20/h4-7H,1-3,8-12H2,(H2,19,24)/t18-/m1/s1
InChIKeyHUZQAWOVPZMASL-GOSISDBHSA-N
XLogP1.18
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447867) is (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(C(=O)N3CCCC3)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is HUZQAWOVPZMASL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-16(24)18-8-3-11-22(18)17(25)21(12-18)14-6-4-13(5-7-14)15(23)20-9-1-2-10-20/h4-7H,1-3,8-12H2,(H2,19,24)/t18-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).