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

C29H31N3O2 — CID 16997050

IUPACN-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C29H31N3O2/c33-29(31(24-14-6-2-7-15-24)20-23-12-4-1-5-13-23)21-32-27-19-11-10-18-26(27)30-28(32)22-34-25-16-8-3-9-17-25/h1,3-5,8-13,16-19,24H,2,6-7,14-15,20-22H2
InChIKeyJWFQEROBCRVROF-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.98
Rot. Bonds8

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

N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 16997050) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID16997050
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C29H31N3O2/c33-29(31(24-14-6-2-7-15-24)20-23-12-4-1-5-13-23)21-32-27-19-11-10-18-26(27)30-28(32)22-34-25-16-8-3-9-17-25/h1,3-5,8-13,16-19,24H,2,6-7,14-15,20-22H2
InChIKeyJWFQEROBCRVROF-UHFFFAOYSA-N
XLogP5.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-benzyl-N-cyclohexyl-2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16997674
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978358
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 16997050) is N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(COc2ccccc2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JWFQEROBCRVROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-29(31(24-14-6-2-7-15-24)20-23-12-4-1-5-13-23)21-32-27-19-11-10-18-26(27)30-28(32)22-34-25-16-8-3-9-17-25/h1,3-5,8-13,16-19,24H,2,6-7,14-15,20-22H2.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 453.59 g/mol, XLogP of 5.98, 8 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-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16997050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).