[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate

C32H23FN2O2 — CID 40821569

IUPAC[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate
SMILESO=C(O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C32H23FN2O2/c33-27-18-7-5-14-24(27)21-35-29-20-9-8-19-28(29)34-31(35)30(23-12-2-1-3-13-23)37-32(36)26-17-10-15-22-11-4-6-16-25(22)26/h1-20,30H,21H2/t30-/m1/s1
InChIKeyGOLOILXZJBAMCK-SSEXGKCCSA-N
MW486.55 g/mol
LogP7.32
Rot. Bonds6

About [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate

[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate (PubChem CID 40821569) has the molecular formula C32H23FN2O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate
PubChem CID40821569
Molecular FormulaC32H23FN2O2
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate
SMILESO=C(O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C32H23FN2O2/c33-27-18-7-5-14-24(27)21-35-29-20-9-8-19-28(29)34-31(35)30(23-12-2-1-3-13-23)37-32(36)26-17-10-15-22-11-4-6-16-25(22)26/h1-20,30H,21H2/t30-/m1/s1
InChIKeyGOLOILXZJBAMCK-SSEXGKCCSA-N
XLogP7.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole
CID 18811084
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
(Z)-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970291
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
N-[(1R)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7007847
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
(Z)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 166606602

Frequently Asked Questions

What is the IUPAC name of [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate?
The IUPAC name of [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate (CID 40821569) is [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate?
The canonical SMILES for [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate is O=C(O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate?
The InChIKey is GOLOILXZJBAMCK-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H23FN2O2/c33-27-18-7-5-14-24(27)21-35-29-20-9-8-19-28(29)34-31(35)30(23-12-2-1-3-13-23)37-32(36)26-17-10-15-22-11-4-6-16-25(22)26/h1-20,30H,21H2/t30-/m1/s1.
What are the key properties of [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate?
[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate has a molecular weight of 486.55 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 40821569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).