(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole

C19H24N2 — CID 167085434

IUPAC(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
SMILESCc1ccccc1N1c2ccccc2N(C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H24N2/c1-14-10-6-7-11-16(14)20-15(2)21(19(3,4)5)18-13-9-8-12-17(18)20/h6-13,15H,1-5H3/t15-/m1/s1
InChIKeyTWPBNMFXOQHTKN-OAHLLOKOSA-N
MW280.42 g/mol
LogP5.10
Rot. Bonds1

About (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole

(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole (PubChem CID 167085434) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
PubChem CID167085434
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole
SMILESCc1ccccc1N1c2ccccc2N(C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H24N2/c1-14-10-6-7-11-16(14)20-15(2)21(19(3,4)5)18-13-9-8-12-17(18)20/h6-13,15H,1-5H3/t15-/m1/s1
InChIKeyTWPBNMFXOQHTKN-OAHLLOKOSA-N
XLogP5.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole?
The IUPAC name of (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole (CID 167085434) is (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole.
What is the SMILES notation for (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole?
The canonical SMILES for (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole is Cc1ccccc1N1c2ccccc2N(C(C)(C)C)[C@@H]1C.
What is the InChIKey of (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole?
The InChIKey is TWPBNMFXOQHTKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-10-6-7-11-16(14)20-15(2)21(19(3,4)5)18-13-9-8-12-17(18)20/h6-13,15H,1-5H3/t15-/m1/s1.
What are the key properties of (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole?
(2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole has a molecular weight of 280.42 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-methyl-3-(2-methylphenyl)-2H-benzimidazole is sourced from PubChem (CID 167085434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).