(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide

C18H24N4O2 — CID 173179662

IUPAC(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
SMILESCN(C)C1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-20(2)18(9-10-18)12-5-7-13(8-6-12)22-15(16(19)23)14-4-3-11-21(14)17(22)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,19,23)/t14-,15?/m1/s1
InChIKeyOBBLHKFYKTYRGX-GICMACPYSA-N
MW328.42 g/mol
LogP1.50
Rot. Bonds4

About (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide

(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide (PubChem CID 173179662) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide.

Molecular Properties

Compound Name(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
PubChem CID173179662
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
SMILESCN(C)C1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1
InChIInChI=1S/C18H24N4O2/c1-20(2)18(9-10-18)12-5-7-13(8-6-12)22-15(16(19)23)14-4-3-11-21(14)17(22)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,19,23)/t14-,15?/m1/s1
InChIKeyOBBLHKFYKTYRGX-GICMACPYSA-N
XLogP1.50
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The IUPAC name of (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide (CID 173179662) is (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide.
What is the SMILES notation for (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The canonical SMILES for (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide is CN(C)C1(c2ccc(N3C(=O)N4CCC[C@@H]4C3C(N)=O)cc2)CC1.
What is the InChIKey of (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
The InChIKey is OBBLHKFYKTYRGX-GICMACPYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20(2)18(9-10-18)12-5-7-13(8-6-12)22-15(16(19)23)14-4-3-11-21(14)17(22)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,19,23)/t14-,15?/m1/s1.
What are the key properties of (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide?
(7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-[4-[1-(dimethylamino)cyclopropyl]phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide is sourced from PubChem (CID 173179662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).