N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine

C32H29FN4 — CID 71132720

IUPACN,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(CN(Cc2ccccc2)Cc2ccccc2)CC3)cc1
InChIInChI=1S/C32H29FN4/c33-28-13-11-26(12-14-28)31-32(27-17-19-34-20-18-27)37-29(15-16-30(37)35-31)23-36(21-24-7-3-1-4-8-24)22-25-9-5-2-6-10-25/h1-14,17-20,29H,15-16,21-23H2
InChIKeyPMGJZOYLNLRARE-UHFFFAOYSA-N
MW488.61 g/mol
LogP6.94
Rot. Bonds8

About N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine

N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine (PubChem CID 71132720) has the molecular formula C32H29FN4 and a molecular weight of 488.61 g/mol. Its IUPAC name is N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine
PubChem CID71132720
Molecular FormulaC32H29FN4
Molecular Weight488.61 g/mol
Exact Mass488.24
IUPAC NameN,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)C(CN(Cc2ccccc2)Cc2ccccc2)CC3)cc1
InChIInChI=1S/C32H29FN4/c33-28-13-11-26(12-14-28)31-32(27-17-19-34-20-18-27)37-29(15-16-30(37)35-31)23-36(21-24-7-3-1-4-8-24)22-25-9-5-2-6-10-25/h1-14,17-20,29H,15-16,21-23H2
InChIKeyPMGJZOYLNLRARE-UHFFFAOYSA-N
XLogP6.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine?
The IUPAC name of N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine (CID 71132720) is N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine.
What is the SMILES notation for N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine?
The canonical SMILES for N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine is Fc1ccc(-c2nc3n(c2-c2ccncc2)C(CN(Cc2ccccc2)Cc2ccccc2)CC3)cc1.
What is the InChIKey of N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine?
The InChIKey is PMGJZOYLNLRARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4/c33-28-13-11-26(12-14-28)31-32(27-17-19-34-20-18-27)37-29(15-16-30(37)35-31)23-36(21-24-7-3-1-4-8-24)22-25-9-5-2-6-10-25/h1-14,17-20,29H,15-16,21-23H2.
What are the key properties of N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine?
N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine has a molecular weight of 488.61 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine is sourced from PubChem (CID 71132720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).