N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide

C25H33FN4O2 — CID 68889913

IUPACN,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)on1
InChIInChI=1S/C25H33FN4O2/c1-16-14-22(32-30-16)25(28-20-13-12-18(26)15-21(20)29-25)23(17-8-4-2-5-9-17)24(31)27-19-10-6-3-7-11-19/h12-15,17,19,23,28-29H,2-11H2,1H3,(H,27,31)
InChIKeyGAJXKOUBBZVAMD-UHFFFAOYSA-N
MW440.56 g/mol
LogP5.46
Rot. Bonds5

About N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68889913) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
PubChem CID68889913
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC NameN,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)on1
InChIInChI=1S/C25H33FN4O2/c1-16-14-22(32-30-16)25(28-20-13-12-18(26)15-21(20)29-25)23(17-8-4-2-5-9-17)24(31)27-19-10-6-3-7-11-19/h12-15,17,19,23,28-29H,2-11H2,1H3,(H,27,31)
InChIKeyGAJXKOUBBZVAMD-UHFFFAOYSA-N
XLogP5.46
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68889913) is N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is Cc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)on1.
What is the InChIKey of N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The InChIKey is GAJXKOUBBZVAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-16-14-22(32-30-16)25(28-20-13-12-18(26)15-21(20)29-25)23(17-8-4-2-5-9-17)24(31)27-19-10-6-3-7-11-19/h12-15,17,19,23,28-29H,2-11H2,1H3,(H,27,31).
What are the key properties of N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 440.56 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[5-fluoro-2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68889913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).