5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide

C22H18FN3O2 — CID 172674366

IUPAC5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cccc2cc(C(=O)NCc3ncc[nH]3)ccc12
InChIInChI=1S/C22H18FN3O2/c1-28-20-12-16(23)6-8-19(20)18-4-2-3-14-11-15(5-7-17(14)18)22(27)26-13-21-24-9-10-25-21/h2-12H,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyNOZPFIKZFXZCNC-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.31
Rot. Bonds5

About 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide

5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 172674366) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide
PubChem CID172674366
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cccc2cc(C(=O)NCc3ncc[nH]3)ccc12
InChIInChI=1S/C22H18FN3O2/c1-28-20-12-16(23)6-8-19(20)18-4-2-3-14-11-15(5-7-17(14)18)22(27)26-13-21-24-9-10-25-21/h2-12H,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyNOZPFIKZFXZCNC-UHFFFAOYSA-N
XLogP4.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide (CID 172674366) is 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide is COc1cc(F)ccc1-c1cccc2cc(C(=O)NCc3ncc[nH]3)ccc12.
What is the InChIKey of 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is NOZPFIKZFXZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-28-20-12-16(23)6-8-19(20)18-4-2-3-14-11-15(5-7-17(14)18)22(27)26-13-21-24-9-10-25-21/h2-12H,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide?
5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 172674366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).