2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole

C28H40N2 — CID 94366022

IUPAC2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C28H40N2/c1-5-6-7-8-9-10-13-20-30-27-15-12-11-14-26(27)29-28(30)23(4)25-18-16-24(17-19-25)21-22(2)3/h11-12,14-19,22-23H,5-10,13,20-21H2,1-4H3/t23-/m1/s1
InChIKeyVWCIIFHNIITXDH-HSZRJFAPSA-N
MW404.64 g/mol
LogP8.14
Rot. Bonds12

About 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole (PubChem CID 94366022) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
PubChem CID94366022
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C28H40N2/c1-5-6-7-8-9-10-13-20-30-27-15-12-11-14-26(27)29-28(30)23(4)25-18-16-24(17-19-25)21-22(2)3/h11-12,14-19,22-23H,5-10,13,20-21H2,1-4H3/t23-/m1/s1
InChIKeyVWCIIFHNIITXDH-HSZRJFAPSA-N
XLogP8.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.14
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

1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
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 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole?
The IUPAC name of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole (CID 94366022) is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole.
What is the SMILES notation for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole?
The canonical SMILES for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole is CCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21.
What is the InChIKey of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole?
The InChIKey is VWCIIFHNIITXDH-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H40N2/c1-5-6-7-8-9-10-13-20-30-27-15-12-11-14-26(27)29-28(30)23(4)25-18-16-24(17-19-25)21-22(2)3/h11-12,14-19,22-23H,5-10,13,20-21H2,1-4H3/t23-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole?
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole has a molecular weight of 404.64 g/mol, XLogP of 8.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole is sourced from PubChem (CID 94366022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).