N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide

C25H27N3O3 — CID 138470423

IUPACN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(OC)c1C
InChIInChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyGRFBFSARRYJWSN-HXUWFJFHSA-N
MW417.51 g/mol
LogP4.24
Rot. Bonds5

About N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide

N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 138470423) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID138470423
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(OC)c1C
InChIInChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyGRFBFSARRYJWSN-HXUWFJFHSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide (CID 138470423) is N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)cc(OC)c1C.
What is the InChIKey of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is GRFBFSARRYJWSN-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide?
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 138470423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).