N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide

C25H32N4O2 — CID 68693676

IUPACN,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCc1oncc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H32N4O2/c1-17-20(16-26-31-17)24-28-21-14-8-9-15-22(21)29(24)23(18-10-4-2-5-11-18)25(30)27-19-12-6-3-7-13-19/h8-9,14-16,18-19,23H,2-7,10-13H2,1H3,(H,27,30)
InChIKeyCPHFLTDCKMBFGL-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.57
Rot. Bonds5

About N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 68693676) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID68693676
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCc1oncc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H32N4O2/c1-17-20(16-26-31-17)24-28-21-14-8-9-15-22(21)29(24)23(18-10-4-2-5-11-18)25(30)27-19-12-6-3-7-13-19/h8-9,14-16,18-19,23H,2-7,10-13H2,1H3,(H,27,30)
InChIKeyCPHFLTDCKMBFGL-UHFFFAOYSA-N
XLogP5.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide (CID 68693676) is N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide is Cc1oncc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is CPHFLTDCKMBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17-20(16-26-31-17)24-28-21-14-8-9-15-22(21)29(24)23(18-10-4-2-5-11-18)25(30)27-19-12-6-3-7-13-19/h8-9,14-16,18-19,23H,2-7,10-13H2,1H3,(H,27,30).
What are the key properties of N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68693676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).