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

C31H38N4O2 — CID 69020172

IUPACN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide
SMILESCc1cc(C2(C(C(=O)N(c3ccccc3)C3CCCCC3)C3CCCCC3)Nc3ccccc3N2)on1
InChIInChI=1S/C31H38N4O2/c1-22-21-28(37-34-22)31(32-26-19-11-12-20-27(26)33-31)29(23-13-5-2-6-14-23)30(36)35(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3,7-8,11-12,15-16,19-21,23,25,29,32-33H,2,4-6,9-10,13-14,17-18H2,1H3
InChIKeyFMHJADLYFVJUIJ-UHFFFAOYSA-N
MW498.67 g/mol
LogP7.24
Rot. Bonds6

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

N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide (PubChem CID 69020172) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide
PubChem CID69020172
Molecular FormulaC31H38N4O2
Molecular Weight498.67 g/mol
Exact Mass498.30
IUPAC NameN,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide
SMILESCc1cc(C2(C(C(=O)N(c3ccccc3)C3CCCCC3)C3CCCCC3)Nc3ccccc3N2)on1
InChIInChI=1S/C31H38N4O2/c1-22-21-28(37-34-22)31(32-26-19-11-12-20-27(26)33-31)29(23-13-5-2-6-14-23)30(36)35(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3,7-8,11-12,15-16,19-21,23,25,29,32-33H,2,4-6,9-10,13-14,17-18H2,1H3
InChIKeyFMHJADLYFVJUIJ-UHFFFAOYSA-N
XLogP7.24
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.24
H-Bond Donors ≤ 52
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]-N-phenylacetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide (CID 69020172) is N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide is Cc1cc(C2(C(C(=O)N(c3ccccc3)C3CCCCC3)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]-N-phenylacetamide?
The InChIKey is FMHJADLYFVJUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-22-21-28(37-34-22)31(32-26-19-11-12-20-27(26)33-31)29(23-13-5-2-6-14-23)30(36)35(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3,7-8,11-12,15-16,19-21,23,25,29,32-33H,2,4-6,9-10,13-14,17-18H2,1H3.
What are the key properties of N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide?
N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide has a molecular weight of 498.67 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 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]-N-phenylacetamide is sourced from PubChem (CID 69020172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).