N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

C25H35N3O2 — CID 17000129

IUPACN,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H35N3O2/c29-24(28(19-10-3-1-4-11-19)20-12-5-2-6-13-20)18-27-22-15-8-7-14-21(22)26-25(27)23-16-9-17-30-23/h7-8,14-15,19-20,23H,1-6,9-13,16-18H2
InChIKeyCUDCXDJPQANDFB-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.38
Rot. Bonds5

About N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 17000129) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
PubChem CID17000129
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H35N3O2/c29-24(28(19-10-3-1-4-11-19)20-12-5-2-6-13-20)18-27-22-15-8-7-14-21(22)26-25(27)23-16-9-17-30-23/h7-8,14-15,19-20,23H,1-6,9-13,16-18H2
InChIKeyCUDCXDJPQANDFB-UHFFFAOYSA-N
XLogP5.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
N,N-dicyclohexyl-2-[2-(3-methylfuran-2-yl)benzimidazol-1-yl]acetamide
CID 175289954
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (CID 17000129) is N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C2CCCO2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is CUDCXDJPQANDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c29-24(28(19-10-3-1-4-11-19)20-12-5-2-6-13-20)18-27-22-15-8-7-14-21(22)26-25(27)23-16-9-17-30-23/h7-8,14-15,19-20,23H,1-6,9-13,16-18H2.
What are the key properties of N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 409.57 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17000129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).