N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide

C28H37N3O2 — CID 16990772

IUPACN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCC2CCCCC2)c1
InChIInChI=1S/C28H37N3O2/c1-33-24-14-10-13-23(21-24)28(32)29-19-9-3-6-17-27-30-25-15-7-8-16-26(25)31(27)20-18-22-11-4-2-5-12-22/h7-8,10,13-16,21-22H,2-6,9,11-12,17-20H2,1H3,(H,29,32)
InChIKeyNYHRFNOQPDXJFS-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.16
Rot. Bonds11

About N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide

N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide (PubChem CID 16990772) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
PubChem CID16990772
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCC2CCCCC2)c1
InChIInChI=1S/C28H37N3O2/c1-33-24-14-10-13-23(21-24)28(32)29-19-9-3-6-17-27-30-25-15-7-8-16-26(25)31(27)20-18-22-11-4-2-5-12-22/h7-8,10,13-16,21-22H,2-6,9,11-12,17-20H2,1H3,(H,29,32)
InChIKeyNYHRFNOQPDXJFS-UHFFFAOYSA-N
XLogP6.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990794
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990313
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
N-[5-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990817
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983711

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide (CID 16990772) is N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCCc2nc3ccccc3n2CCC2CCCCC2)c1.
What is the InChIKey of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
The InChIKey is NYHRFNOQPDXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-33-24-14-10-13-23(21-24)28(32)29-19-9-3-6-17-27-30-25-15-7-8-16-26(25)31(27)20-18-22-11-4-2-5-12-22/h7-8,10,13-16,21-22H,2-6,9,11-12,17-20H2,1H3,(H,29,32).
What are the key properties of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide?
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide has a molecular weight of 447.62 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide is sourced from PubChem (CID 16990772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).