1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C26H36N2 — CID 94366017

IUPAC1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C26H36N2/c1-5-6-7-8-11-18-28-25-13-10-9-12-24(25)27-26(28)21(4)23-16-14-22(15-17-23)19-20(2)3/h9-10,12-17,20-21H,5-8,11,18-19H2,1-4H3/t21-/m0/s1
InChIKeyCIZWPMFFZWPRDR-NRFANRHFSA-N
MW376.59 g/mol
LogP7.36
Rot. Bonds10

About 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 94366017) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID94366017
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C26H36N2/c1-5-6-7-8-11-18-28-25-13-10-9-12-24(25)27-26(28)21(4)23-16-14-22(15-17-23)19-20(2)3/h9-10,12-17,20-21H,5-8,11,18-19H2,1-4H3/t21-/m0/s1
InChIKeyCIZWPMFFZWPRDR-NRFANRHFSA-N
XLogP7.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 18879423
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
1-[4-(3-methoxyphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996279
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
methyl 2-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetate
CID 16996305

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 94366017) is 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21.
What is the InChIKey of 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is CIZWPMFFZWPRDR-NRFANRHFSA-N. The full InChI is InChI=1S/C26H36N2/c1-5-6-7-8-11-18-28-25-13-10-9-12-24(25)27-26(28)21(4)23-16-14-22(15-17-23)19-20(2)3/h9-10,12-17,20-21H,5-8,11,18-19H2,1-4H3/t21-/m0/s1.
What are the key properties of 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 376.59 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 94366017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).