N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide

C22H18FN3O2 — CID 166167429

IUPACN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27)
InChIKeyLFHWXYAREQSSGD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.71
Rot. Bonds3

About N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166167429) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166167429
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27)
InChIKeyLFHWXYAREQSSGD-UHFFFAOYSA-N
XLogP4.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl}methyl)urea
CID 135528873
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
8-(2-Fluorophenyl)-7-hydroxy-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22448579
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
2-[[(1-Methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 889915
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
CID 24758811
[3-[3-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-fluoro-2-hydroxyphenyl]-4-hydroxyphenyl]methylurea
CID 135457527
2-[3-(5-fluoro-2-hydroxyphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 136094843
2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}-4-methylphenol
CID 2902650
(6E)-6-(4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 660174

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide (CID 166167429) is N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is LFHWXYAREQSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166167429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).