N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine

C29H25FN4 — CID 18771558

IUPACN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C29H25FN4/c1-34(19-21-5-3-2-4-6-21)20-22-7-9-25(10-8-22)29-32-27(23-11-13-26(30)14-12-23)28(33-29)24-15-17-31-18-16-24/h2-18H,19-20H2,1H3,(H,32,33)
InChIKeyFMWMUCWMTIOHOR-UHFFFAOYSA-N
MW448.55 g/mol
LogP6.58
Rot. Bonds7

About N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine

N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 18771558) has the molecular formula C29H25FN4 and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID18771558
Molecular FormulaC29H25FN4
Molecular Weight448.55 g/mol
Exact Mass448.21
IUPAC NameN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C29H25FN4/c1-34(19-21-5-3-2-4-6-21)20-22-7-9-25(10-8-22)29-32-27(23-11-13-26(30)14-12-23)28(33-29)24-15-17-31-18-16-24/h2-18H,19-20H2,1H3,(H,32,33)
InChIKeyFMWMUCWMTIOHOR-UHFFFAOYSA-N
XLogP6.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine (CID 18771558) is N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is FMWMUCWMTIOHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4/c1-34(19-21-5-3-2-4-6-21)20-22-7-9-25(10-8-22)29-32-27(23-11-13-26(30)14-12-23)28(33-29)24-15-17-31-18-16-24/h2-18H,19-20H2,1H3,(H,32,33).
What are the key properties of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine?
N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 448.55 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 18771558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).