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

C25H27N3O2 — CID 138470399

IUPACN-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C
InChIInChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyHMOMQPHKMPWUKJ-OAQYLSRUSA-N
MW401.51 g/mol
LogP4.62
Rot. Bonds4

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

N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide (PubChem CID 138470399) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide
PubChem CID138470399
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C
InChIInChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyHMOMQPHKMPWUKJ-OAQYLSRUSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide (CID 138470399) is N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N[C@@H]2CCCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C.
What is the InChIKey of N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is HMOMQPHKMPWUKJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide?
N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 138470399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).