3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C23H17F2N3O2 — CID 138609114

IUPAC3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)COC1
InChIInChI=1S/C23H17F2N3O2/c24-16-5-8-18(9-6-16)26-22(29)23(12-30-13-23)15-3-1-14(2-4-15)21-27-19-10-7-17(25)11-20(19)28-21/h1-11H,12-13H2,(H,26,29)(H,27,28)
InChIKeyCQOINJMEJFIGTN-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.41
Rot. Bonds4

About 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609114) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609114
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)COC1
InChIInChI=1S/C23H17F2N3O2/c24-16-5-8-18(9-6-16)26-22(29)23(12-30-13-23)15-3-1-14(2-4-15)21-27-19-10-7-17(25)11-20(19)28-21/h1-11H,12-13H2,(H,26,29)(H,27,28)
InChIKeyCQOINJMEJFIGTN-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
CID 119854454
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138631252
2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 166322510

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609114) is 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)COC1.
What is the InChIKey of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is CQOINJMEJFIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c24-16-5-8-18(9-6-16)26-22(29)23(12-30-13-23)15-3-1-14(2-4-15)21-27-19-10-7-17(25)11-20(19)28-21/h1-11H,12-13H2,(H,26,29)(H,27,28).
What are the key properties of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).