N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide

C22H18FN3O2 — CID 11349348

IUPACN-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(O)cc1
InChIInChI=1S/C22H18FN3O2/c23-18-4-2-1-3-16(18)12-21-25-19-10-5-14(11-20(19)26-21)13-24-22(28)15-6-8-17(27)9-7-15/h1-11,27H,12-13H2,(H,24,28)(H,25,26)
InChIKeyYFQJQDVRZQJWNY-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide

N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide (PubChem CID 11349348) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
PubChem CID11349348
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(O)cc1
InChIInChI=1S/C22H18FN3O2/c23-18-4-2-1-3-16(18)12-21-25-19-10-5-14(11-20(19)26-21)13-24-22(28)15-6-8-17(27)9-7-15/h1-11,27H,12-13H2,(H,24,28)(H,25,26)
InChIKeyYFQJQDVRZQJWNY-UHFFFAOYSA-N
XLogP3.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide (CID 11349348) is N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide is O=C(NCc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(O)cc1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide?
The InChIKey is YFQJQDVRZQJWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-18-4-2-1-3-16(18)12-21-25-19-10-5-14(11-20(19)26-21)13-24-22(28)15-6-8-17(27)9-7-15/h1-11,27H,12-13H2,(H,24,28)(H,25,26).
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide?
N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide has a molecular weight of 375.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide is sourced from PubChem (CID 11349348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).