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

C23H30N2 — CID 7011097

IUPAC1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H30N2/c1-5-6-15-25-22-10-8-7-9-21(22)24-23(25)18(4)20-13-11-19(12-14-20)16-17(2)3/h7-14,17-18H,5-6,15-16H2,1-4H3/t18-/m0/s1
InChIKeyUQEJFCJEOYQHEN-SFHVURJKSA-N
MW334.51 g/mol
LogP6.19
Rot. Bonds7

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

1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 7011097) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID7011097
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H30N2/c1-5-6-15-25-22-10-8-7-9-21(22)24-23(25)18(4)20-13-11-19(12-14-20)16-17(2)3/h7-14,17-18H,5-6,15-16H2,1-4H3/t18-/m0/s1
InChIKeyUQEJFCJEOYQHEN-SFHVURJKSA-N
XLogP6.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
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-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 18879423
1-[4-(3-methoxyphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996279
2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
CID 6998169
1-[2-(2-chlorophenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996237
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 7011097) is 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is UQEJFCJEOYQHEN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2/c1-5-6-15-25-22-10-8-7-9-21(22)24-23(25)18(4)20-13-11-19(12-14-20)16-17(2)3/h7-14,17-18H,5-6,15-16H2,1-4H3/t18-/m0/s1.
What are the key properties of 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 334.51 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 7011097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).