2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole

C22H28N2 — CID 6998169

IUPAC2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C22H28N2/c1-15(2)14-18-10-12-19(13-11-18)17(5)22-23-20-8-6-7-9-21(20)24(22)16(3)4/h6-13,15-17H,14H2,1-5H3/t17-/m0/s1
InChIKeyPJVYLQYZZVQDEO-KRWDZBQOSA-N
MW320.48 g/mol
LogP5.97
Rot. Bonds5

About 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole

2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole (PubChem CID 6998169) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
PubChem CID6998169
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C22H28N2/c1-15(2)14-18-10-12-19(13-11-18)17(5)22-23-20-8-6-7-9-21(20)24(22)16(3)4/h6-13,15-17H,14H2,1-5H3/t17-/m0/s1
InChIKeyPJVYLQYZZVQDEO-KRWDZBQOSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
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-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
CID 40592569
methyl 2-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetate
CID 16996305
1-[(2-methoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3269315
1-[(3,4-diethoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 70696453

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole (CID 6998169) is 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole is CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole?
The InChIKey is PJVYLQYZZVQDEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2/c1-15(2)14-18-10-12-19(13-11-18)17(5)22-23-20-8-6-7-9-21(20)24(22)16(3)4/h6-13,15-17H,14H2,1-5H3/t17-/m0/s1.
What are the key properties of 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole?
2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole has a molecular weight of 320.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 6998169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).