N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide

C29H33N3O2 — CID 16996383

IUPACN-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)ccc2c1
InChIInChI=1S/C29H33N3O2/c1-20(21-13-14-23-18-25(34-3)16-15-22(23)17-21)29-30-26-11-7-8-12-27(26)32(29)19-28(33)31(2)24-9-5-4-6-10-24/h7-8,11-18,20,24H,4-6,9-10,19H2,1-3H3
InChIKeyVKKQAMHZNHEASR-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.14
Rot. Bonds6

About N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide

N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide (PubChem CID 16996383) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide
PubChem CID16996383
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)ccc2c1
InChIInChI=1S/C29H33N3O2/c1-20(21-13-14-23-18-25(34-3)16-15-22(23)17-21)29-30-26-11-7-8-12-27(26)32(29)19-28(33)31(2)24-9-5-4-6-10-24/h7-8,11-18,20,24H,4-6,9-10,19H2,1-3H3
InChIKeyVKKQAMHZNHEASR-UHFFFAOYSA-N
XLogP6.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
CID 16996375
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969439
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 18811211
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967595
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide (CID 16996383) is N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide is COc1ccc2cc(C(C)c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)ccc2c1.
What is the InChIKey of N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is VKKQAMHZNHEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-20(21-13-14-23-18-25(34-3)16-15-22(23)17-21)29-30-26-11-7-8-12-27(26)32(29)19-28(33)31(2)24-9-5-4-6-10-24/h7-8,11-18,20,24H,4-6,9-10,19H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 455.60 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 16996383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).