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

C26H24ClFN4 — CID 71132544

IUPACN-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1Cl)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C26H24ClFN4/c1-31(16-20-4-2-3-5-23(20)27)17-22-10-11-24-30-25(18-6-8-21(28)9-7-18)26(32(22)24)19-12-14-29-15-13-19/h2-9,12-15,22H,10-11,16-17H2,1H3
InChIKeyLPAUESLEQQWFOL-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.02
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine (PubChem CID 71132544) has the molecular formula C26H24ClFN4 and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine
PubChem CID71132544
Molecular FormulaC26H24ClFN4
Molecular Weight446.96 g/mol
Exact Mass446.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine
SMILESCN(Cc1ccccc1Cl)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C26H24ClFN4/c1-31(16-20-4-2-3-5-23(20)27)17-22-10-11-24-30-25(18-6-8-21(28)9-7-18)26(32(22)24)19-12-14-29-15-13-19/h2-9,12-15,22H,10-11,16-17H2,1H3
InChIKeyLPAUESLEQQWFOL-UHFFFAOYSA-N
XLogP6.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine (CID 71132544) is N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine is CN(Cc1ccccc1Cl)CC1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine?
The InChIKey is LPAUESLEQQWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4/c1-31(16-20-4-2-3-5-23(20)27)17-22-10-11-24-30-25(18-6-8-21(28)9-7-18)26(32(22)24)19-12-14-29-15-13-19/h2-9,12-15,22H,10-11,16-17H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine?
N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine has a molecular weight of 446.96 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 71132544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).