2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide

C20H21F2N3O3 — CID 155524240

IUPAC2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide
SMILESO=C(NCCCC[C@H]1CN=C(c2c(O)cccc2F)N1)c1c(O)cccc1F
InChIInChI=1S/C20H21F2N3O3/c21-13-6-3-8-15(26)17(13)19-24-11-12(25-19)5-1-2-10-23-20(28)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11H2,(H,23,28)(H,24,25)/t12-/m0/s1
InChIKeyYINQBWLVXTVIER-LBPRGKRZSA-N
MW389.40 g/mol
LogP2.69
Rot. Bonds7

About 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide

2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide (PubChem CID 155524240) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide
PubChem CID155524240
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide
SMILESO=C(NCCCC[C@H]1CN=C(c2c(O)cccc2F)N1)c1c(O)cccc1F
InChIInChI=1S/C20H21F2N3O3/c21-13-6-3-8-15(26)17(13)19-24-11-12(25-19)5-1-2-10-23-20(28)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11H2,(H,23,28)(H,24,25)/t12-/m0/s1
InChIKeyYINQBWLVXTVIER-LBPRGKRZSA-N
XLogP2.69
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide?
The IUPAC name of 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide (CID 155524240) is 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide?
The canonical SMILES for 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide is O=C(NCCCC[C@H]1CN=C(c2c(O)cccc2F)N1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide?
The InChIKey is YINQBWLVXTVIER-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-13-6-3-8-15(26)17(13)19-24-11-12(25-19)5-1-2-10-23-20(28)18-14(22)7-4-9-16(18)27/h3-4,6-9,12,26-27H,1-2,5,10-11H2,(H,23,28)(H,24,25)/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide?
2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide has a molecular weight of 389.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide is sourced from PubChem (CID 155524240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).