N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide

C30H33N3O2 — CID 16995967

IUPACN-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C30H33N3O2/c1-35-26-18-16-23(17-19-26)20-29-31-27-14-8-9-15-28(27)33(29)22-30(34)32(25-12-6-3-7-13-25)21-24-10-4-2-5-11-24/h2,4-5,8-11,14-19,25H,3,6-7,12-13,20-22H2,1H3
InChIKeyXJJFTSLLQRUTTJ-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.00
Rot. Bonds8

About N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16995967) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID16995967
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(Cc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C30H33N3O2/c1-35-26-18-16-23(17-19-26)20-29-31-27-14-8-9-15-28(27)33(29)22-30(34)32(25-12-6-3-7-13-25)21-24-10-4-2-5-11-24/h2,4-5,8-11,14-19,25H,3,6-7,12-13,20-22H2,1H3
InChIKeyXJJFTSLLQRUTTJ-UHFFFAOYSA-N
XLogP6.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
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]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979854
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006484
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (CID 16995967) is N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is COc1ccc(Cc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is XJJFTSLLQRUTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-35-26-18-16-23(17-19-26)20-29-31-27-14-8-9-15-28(27)33(29)22-30(34)32(25-12-6-3-7-13-25)21-24-10-4-2-5-11-24/h2,4-5,8-11,14-19,25H,3,6-7,12-13,20-22H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 6.00, 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-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).