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

C28H37N3O2 — CID 16990124

IUPACN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C28H37N3O2/c1-33-26-17-10-7-14-23(26)28(32)29-20-11-3-6-18-27-30-24-15-8-9-16-25(24)31(27)21-19-22-12-4-2-5-13-22/h7-10,14-17,22H,2-6,11-13,18-21H2,1H3,(H,29,32)
InChIKeyRTJMVRVDQIQQME-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.16
Rot. Bonds11

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

N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide (PubChem CID 16990124) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
PubChem CID16990124
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C28H37N3O2/c1-33-26-17-10-7-14-23(26)28(32)29-20-11-3-6-18-27-30-24-15-8-9-16-25(24)31(27)21-19-22-12-4-2-5-13-22/h7-10,14-17,22H,2-6,11-13,18-21H2,1H3,(H,29,32)
InChIKeyRTJMVRVDQIQQME-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-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988504
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[5-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990131
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide?
The IUPAC name of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide (CID 16990124) is N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide?
The InChIKey is RTJMVRVDQIQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-33-26-17-10-7-14-23(26)28(32)29-20-11-3-6-18-27-30-24-15-8-9-16-25(24)31(27)21-19-22-12-4-2-5-13-22/h7-10,14-17,22H,2-6,11-13,18-21H2,1H3,(H,29,32).
What are the key properties of N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide?
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 16990124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).