1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole

C18H20N2 — CID 40698685

IUPAC1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
SMILESCC[C@H](C)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H20N2/c1-3-14(2)16-10-8-15(9-11-16)12-20-13-19-17-6-4-5-7-18(17)20/h4-11,13-14H,3,12H2,1-2H3/t14-/m0/s1
InChIKeyGPWYBHHVBSXYIE-AWEZNQCLSA-N
MW264.37 g/mol
LogP4.60
Rot. Bonds4

About 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole

1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole (PubChem CID 40698685) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
PubChem CID40698685
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
SMILESCC[C@H](C)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H20N2/c1-3-14(2)16-10-8-15(9-11-16)12-20-13-19-17-6-4-5-7-18(17)20/h4-11,13-14H,3,12H2,1-2H3/t14-/m0/s1
InChIKeyGPWYBHHVBSXYIE-AWEZNQCLSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole (CID 40698685) is 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole is CC[C@H](C)c1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole?
The InChIKey is GPWYBHHVBSXYIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-14(2)16-10-8-15(9-11-16)12-20-13-19-17-6-4-5-7-18(17)20/h4-11,13-14H,3,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole?
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 40698685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).