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

C25H34N4O2 — CID 68888277

IUPACN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)on1
InChIInChI=1S/C25H34N4O2/c1-17-16-22(31-29-17)25(27-20-14-8-9-15-21(20)28-25)23(18-10-4-2-5-11-18)24(30)26-19-12-6-3-7-13-19/h8-9,14-16,18-19,23,27-28H,2-7,10-13H2,1H3,(H,26,30)
InChIKeyXMRABSOREFTKHZ-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.32
Rot. Bonds5

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

N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68888277) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
PubChem CID68888277
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)on1
InChIInChI=1S/C25H34N4O2/c1-17-16-22(31-29-17)25(27-20-14-8-9-15-21(20)28-25)23(18-10-4-2-5-11-18)24(30)26-19-12-6-3-7-13-19/h8-9,14-16,18-19,23,27-28H,2-7,10-13H2,1H3,(H,26,30)
InChIKeyXMRABSOREFTKHZ-UHFFFAOYSA-N
XLogP5.32
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.32
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-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68888277) is N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is Cc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)on1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The InChIKey is XMRABSOREFTKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-16-22(31-29-17)25(27-20-14-8-9-15-21(20)28-25)23(18-10-4-2-5-11-18)24(30)26-19-12-6-3-7-13-19/h8-9,14-16,18-19,23,27-28H,2-7,10-13H2,1H3,(H,26,30).
What are the key properties of N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 5.32, 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-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68888277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).