2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole

C22H20N2 — CID 139651881

IUPAC2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
SMILESc1ccc(CC(Cc2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H20N2/c1-3-9-17(10-4-1)15-19(16-18-11-5-2-6-12-18)22-23-20-13-7-8-14-21(20)24-22/h1-14,19H,15-16H2,(H,23,24)
InChIKeyXEODRHCCSSEPHT-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.13
Rot. Bonds5

About 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole

2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole (PubChem CID 139651881) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
PubChem CID139651881
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
SMILESc1ccc(CC(Cc2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H20N2/c1-3-9-17(10-4-1)15-19(16-18-11-5-2-6-12-18)22-23-20-13-7-8-14-21(20)24-22/h1-14,19H,15-16H2,(H,23,24)
InChIKeyXEODRHCCSSEPHT-UHFFFAOYSA-N
XLogP5.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
CID 83976079
2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976034
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
CID 709607
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-phenylthiourea
CID 118715531
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole (CID 139651881) is 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole is c1ccc(CC(Cc2ccccc2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole?
The InChIKey is XEODRHCCSSEPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-9-17(10-4-1)15-19(16-18-11-5-2-6-12-18)22-23-20-13-7-8-14-21(20)24-22/h1-14,19H,15-16H2,(H,23,24).
What are the key properties of 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole?
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 139651881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).