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

C25H34N2 — CID 7005495

IUPAC1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C25H34N2/c1-5-6-7-10-17-27-24-12-9-8-11-23(24)26-25(27)20(4)22-15-13-21(14-16-22)18-19(2)3/h8-9,11-16,19-20H,5-7,10,17-18H2,1-4H3/t20-/m1/s1
InChIKeyNMFVXAHRUOOKJR-HXUWFJFHSA-N
MW362.56 g/mol
LogP6.97
Rot. Bonds9

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

1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 7005495) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID7005495
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C25H34N2/c1-5-6-7-10-17-27-24-12-9-8-11-23(24)26-25(27)20(4)22-15-13-21(14-16-22)18-19(2)3/h8-9,11-16,19-20H,5-7,10,17-18H2,1-4H3/t20-/m1/s1
InChIKeyNMFVXAHRUOOKJR-HXUWFJFHSA-N
XLogP6.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.97
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
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
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-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 7005495) is 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21.
What is the InChIKey of 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is NMFVXAHRUOOKJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H34N2/c1-5-6-7-10-17-27-24-12-9-8-11-23(24)26-25(27)20(4)22-15-13-21(14-16-22)18-19(2)3/h8-9,11-16,19-20H,5-7,10,17-18H2,1-4H3/t20-/m1/s1.
What are the key properties of 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 362.56 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 7005495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).