N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide

C22H18FN3O2 — CID 21008793

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c23-16-11-9-15(10-12-16)14-28-20-8-4-1-5-17(20)22(27)24-13-21-25-18-6-2-3-7-19(18)26-21/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyJDYBSTAERPHHOZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.21
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide

N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 21008793) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID21008793
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c23-16-11-9-15(10-12-16)14-28-20-8-4-1-5-17(20)22(27)24-13-21-25-18-6-2-3-7-19(18)26-21/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyJDYBSTAERPHHOZ-UHFFFAOYSA-N
XLogP4.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4969011
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-(1H-benzimidazol-2-ylmethyl)-1-[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66537187
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide (CID 21008793) is N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is JDYBSTAERPHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-16-11-9-15(10-12-16)14-28-20-8-4-1-5-17(20)22(27)24-13-21-25-18-6-2-3-7-19(18)26-21/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 21008793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).