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

C28H35N3O2 — CID 16997064

IUPACN,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H35N3O2/c32-28(31(22-12-4-1-5-13-22)23-14-6-2-7-15-23)20-30-26-19-11-10-18-25(26)29-27(30)21-33-24-16-8-3-9-17-24/h3,8-11,16-19,22-23H,1-2,4-7,12-15,20-21H2
InChIKeyFPRLIOWKCDUSGP-UHFFFAOYSA-N
MW445.61 g/mol
LogP6.11
Rot. Bonds7

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

N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 16997064) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID16997064
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H35N3O2/c32-28(31(22-12-4-1-5-13-22)23-14-6-2-7-15-23)20-30-26-19-11-10-18-25(26)29-27(30)21-33-24-16-8-3-9-17-24/h3,8-11,16-19,22-23H,1-2,4-7,12-15,20-21H2
InChIKeyFPRLIOWKCDUSGP-UHFFFAOYSA-N
XLogP6.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
2-[2-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16971223
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 34804322
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 16997064) is N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(COc2ccccc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is FPRLIOWKCDUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c32-28(31(22-12-4-1-5-13-22)23-14-6-2-7-15-23)20-30-26-19-11-10-18-25(26)29-27(30)21-33-24-16-8-3-9-17-24/h3,8-11,16-19,22-23H,1-2,4-7,12-15,20-21H2.
What are the key properties of N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 445.61 g/mol, XLogP of 6.11, 7 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-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16997064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).