N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine

C32H34FN3 — CID 142148545

IUPACN-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
SMILESCCCCN1C(CN(Cc2ccccc2)Cc2ccc3ccccc3c2)=CNC1c1cccc(F)c1
InChIInChI=1S/C32H34FN3/c1-2-3-18-36-31(21-34-32(36)29-14-9-15-30(33)20-29)24-35(22-25-10-5-4-6-11-25)23-26-16-17-27-12-7-8-13-28(27)19-26/h4-17,19-21,32,34H,2-3,18,22-24H2,1H3
InChIKeyVDKBCTOBRRHUQP-UHFFFAOYSA-N
MW479.64 g/mol
LogP7.23
Rot. Bonds10

About N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine

N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine (PubChem CID 142148545) has the molecular formula C32H34FN3 and a molecular weight of 479.64 g/mol. Its IUPAC name is N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
PubChem CID142148545
Molecular FormulaC32H34FN3
Molecular Weight479.64 g/mol
Exact Mass479.27
IUPAC NameN-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
SMILESCCCCN1C(CN(Cc2ccccc2)Cc2ccc3ccccc3c2)=CNC1c1cccc(F)c1
InChIInChI=1S/C32H34FN3/c1-2-3-18-36-31(21-34-32(36)29-14-9-15-30(33)20-29)24-35(22-25-10-5-4-6-11-25)23-26-16-17-27-12-7-8-13-28(27)19-26/h4-17,19-21,32,34H,2-3,18,22-24H2,1H3
InChIKeyVDKBCTOBRRHUQP-UHFFFAOYSA-N
XLogP7.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine (CID 142148545) is N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine is CCCCN1C(CN(Cc2ccccc2)Cc2ccc3ccccc3c2)=CNC1c1cccc(F)c1.
What is the InChIKey of N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is VDKBCTOBRRHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3/c1-2-3-18-36-31(21-34-32(36)29-14-9-15-30(33)20-29)24-35(22-25-10-5-4-6-11-25)23-26-16-17-27-12-7-8-13-28(27)19-26/h4-17,19-21,32,34H,2-3,18,22-24H2,1H3.
What are the key properties of N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine?
N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 479.64 g/mol, XLogP of 7.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-(3-fluorophenyl)-1,2-dihydroimidazol-4-yl]methyl]-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 142148545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).