2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid

C24H27N3O4 — CID 20610983

IUPAC2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid
SMILESCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)cn1CC(=O)O
InChIInChI=1S/C24H27N3O4/c1-2-3-14-20(26-24(30)31-17-18-10-6-4-7-11-18)23-25-21(15-27(23)16-22(28)29)19-12-8-5-9-13-19/h4-13,15,20H,2-3,14,16-17H2,1H3,(H,26,30)(H,28,29)/t20-/m0/s1
InChIKeyONANPLBZQIAAQB-FQEVSTJZSA-N
MW421.50 g/mol
LogP4.79
Rot. Bonds10

About 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid

2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid (PubChem CID 20610983) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid
PubChem CID20610983
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid
SMILESCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)cn1CC(=O)O
InChIInChI=1S/C24H27N3O4/c1-2-3-14-20(26-24(30)31-17-18-10-6-4-7-11-18)23-25-21(15-27(23)16-22(28)29)19-12-8-5-9-13-19/h4-13,15,20H,2-3,14,16-17H2,1H3,(H,26,30)(H,28,29)/t20-/m0/s1
InChIKeyONANPLBZQIAAQB-FQEVSTJZSA-N
XLogP4.79
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(2-methoxyphenyl)-2-[1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetate
CID 22016833
benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
CID 142744379
5-hexadecan-5-yloxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 71336676
(3R)-3-(phenylmethoxycarbonylamino)-3-(3-propylimidazol-4-yl)propanoic acid
CID 103696724
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
chloromethyl (2S)-2-(phenylmethoxycarbonylamino)hexanoate
CID 171393372
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
4-hexadecoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 71336674
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
benzyl N-[(4S)-5-oxoundecan-4-yl]carbamate
CID 10781916
undecyl 2-(phenylmethoxycarbonylamino)pentanoate
CID 91723840
(3R)-3-(3-ethylimidazol-4-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103696699

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid (CID 20610983) is 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid is CCCC[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)cn1CC(=O)O.
What is the InChIKey of 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid?
The InChIKey is ONANPLBZQIAAQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-3-14-20(26-24(30)31-17-18-10-6-4-7-11-18)23-25-21(15-27(23)16-22(28)29)19-12-8-5-9-13-19/h4-13,15,20H,2-3,14,16-17H2,1H3,(H,26,30)(H,28,29)/t20-/m0/s1.
What are the key properties of 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid?
2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid has a molecular weight of 421.50 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)pentyl]imidazol-1-yl]acetic acid is sourced from PubChem (CID 20610983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).