N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

C26H31N3O2 — CID 17000112

IUPACN-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C26H31N3O2/c30-25(28(21-12-5-2-6-13-21)18-20-10-3-1-4-11-20)19-29-23-15-8-7-14-22(23)27-26(29)24-16-9-17-31-24/h1,3-4,7-8,10-11,14-15,21,24H,2,5-6,9,12-13,16-19H2
InChIKeyCLCXMXBKTCSXPE-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.25
Rot. Bonds6

About N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 17000112) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
PubChem CID17000112
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C26H31N3O2/c30-25(28(21-12-5-2-6-13-21)18-20-10-3-1-4-11-20)19-29-23-15-8-7-14-22(23)27-26(29)24-16-9-17-31-24/h1,3-4,7-8,10-11,14-15,21,24H,2,5-6,9,12-13,16-19H2
InChIKeyCLCXMXBKTCSXPE-UHFFFAOYSA-N
XLogP5.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 19242643
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358
N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (CID 17000112) is N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C2CCCO2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is CLCXMXBKTCSXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-25(28(21-12-5-2-6-13-21)18-20-10-3-1-4-11-20)19-29-23-15-8-7-14-22(23)27-26(29)24-16-9-17-31-24/h1,3-4,7-8,10-11,14-15,21,24H,2,5-6,9,12-13,16-19H2.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17000112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).