N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

C23H19FN4O2 — CID 68780150

IUPACN-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyPSQRFWCESROCRS-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.75
Rot. Bonds6

About N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 68780150) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID68780150
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyPSQRFWCESROCRS-UHFFFAOYSA-N
XLogP4.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 59351313
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CID 53344810
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CID 25253713
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CID 46207938
CID 46207938
CID 59327006
CID 59327006
CID 59351198
CID 59351198
CID 90298273
CID 90298273
CID 118706738
CID 118706738
CID 16318785
CID 16318785
CID 3728297
CID 3728297
CID 2718165
CID 2718165
CID 11610261
CID 11610261

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 68780150) is N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1cc(F)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is PSQRFWCESROCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-12-20(24)19(22-26-10-11-27-22)13-21(15)28-23(29)16-5-7-18(8-6-16)30-14-17-4-2-3-9-25-17/h2-13H,14H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 68780150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).