4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide

C23H20FN3O2 — CID 4044810

IUPAC4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCc1cccc(OCCn2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O2/c1-16-5-4-6-19(15-16)29-14-13-27-21-8-3-2-7-20(21)25-23(27)26-22(28)17-9-11-18(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,26,28)
InChIKeyUNJKCBRYCXWNIP-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.82
Rot. Bonds6

About 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide

4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 4044810) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
PubChem CID4044810
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCc1cccc(OCCn2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O2/c1-16-5-4-6-19(15-16)29-14-13-27-21-8-3-2-7-20(21)25-23(27)26-22(28)17-9-11-18(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,26,28)
InChIKeyUNJKCBRYCXWNIP-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-nitro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
CID 1492393
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972415
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
4-fluoro-N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977358
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
CID 807389
2-methyl-N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980424

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide (CID 4044810) is 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide is Cc1cccc(OCCn2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)c1.
What is the InChIKey of 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is UNJKCBRYCXWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16-5-4-6-19(15-16)29-14-13-27-21-8-3-2-7-20(21)25-23(27)26-22(28)17-9-11-18(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,26,28).
What are the key properties of 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 4044810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).