N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide

C30H32F2N4O — CID 11504298

IUPACN-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1cc(F)cc(F)c1)N(CCCN)C(=O)c1ccccc1
InChIInChI=1S/C30H32F2N4O/c1-21(2)28(36(15-9-14-33)30(37)24-12-7-4-8-13-24)29-34-27(23-10-5-3-6-11-23)20-35(29)19-22-16-25(31)18-26(32)17-22/h3-8,10-13,16-18,20-21,28H,9,14-15,19,33H2,1-2H3/t28-/m1/s1
InChIKeyCBLWWSGODNMAJB-MUUNZHRXSA-N
MW502.61 g/mol
LogP6.06
Rot. Bonds10

About N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide

N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide (PubChem CID 11504298) has the molecular formula C30H32F2N4O and a molecular weight of 502.61 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide
PubChem CID11504298
Molecular FormulaC30H32F2N4O
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1cc(F)cc(F)c1)N(CCCN)C(=O)c1ccccc1
InChIInChI=1S/C30H32F2N4O/c1-21(2)28(36(15-9-14-33)30(37)24-12-7-4-8-13-24)29-34-27(23-10-5-3-6-11-23)20-35(29)19-22-16-25(31)18-26(32)17-22/h3-8,10-13,16-18,20-21,28H,9,14-15,19,33H2,1-2H3/t28-/m1/s1
InChIKeyCBLWWSGODNMAJB-MUUNZHRXSA-N
XLogP6.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide (CID 11504298) is N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide is CC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1cc(F)cc(F)c1)N(CCCN)C(=O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide?
The InChIKey is CBLWWSGODNMAJB-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H32F2N4O/c1-21(2)28(36(15-9-14-33)30(37)24-12-7-4-8-13-24)29-34-27(23-10-5-3-6-11-23)20-35(29)19-22-16-25(31)18-26(32)17-22/h3-8,10-13,16-18,20-21,28H,9,14-15,19,33H2,1-2H3/t28-/m1/s1.
What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide?
N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide has a molecular weight of 502.61 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1R)-1-[1-[(3,5-difluorophenyl)methyl]-4-phenylimidazol-2-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 11504298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).