5-tert-butyl-1,3-diphenyl-2H-benzimidazole

C23H24N2 — CID 155454874

IUPAC5-tert-butyl-1,3-diphenyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3
InChIKeyLQHJQMOKHSJORG-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.23
Rot. Bonds2

About 5-tert-butyl-1,3-diphenyl-2H-benzimidazole

5-tert-butyl-1,3-diphenyl-2H-benzimidazole (PubChem CID 155454874) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-tert-butyl-1,3-diphenyl-2H-benzimidazole.

Molecular Properties

Compound Name5-tert-butyl-1,3-diphenyl-2H-benzimidazole
PubChem CID155454874
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name5-tert-butyl-1,3-diphenyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3
InChIKeyLQHJQMOKHSJORG-UHFFFAOYSA-N
XLogP6.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole
CID 58059093
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
3-(6-tert-butyl-3-phenyl-2H-benzimidazol-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 68679851
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-7-(2-phenylpropan-2-yl)carbazole
CID 158357333
3-tert-butyl-10-phenylphenothiazine
CID 134252291
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162102791
2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388
2-[3-[5-tert-butyl-3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158521525
6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 157150290
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The IUPAC name of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole (CID 155454874) is 5-tert-butyl-1,3-diphenyl-2H-benzimidazole.
What is the SMILES notation for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The canonical SMILES for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole is CC(C)(C)c1ccc2c(c1)N(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
The InChIKey is LQHJQMOKHSJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-23(2,3)18-14-15-21-22(16-18)25(20-12-8-5-9-13-20)17-24(21)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-diphenyl-2H-benzimidazole?
5-tert-butyl-1,3-diphenyl-2H-benzimidazole has a molecular weight of 328.46 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-diphenyl-2H-benzimidazole is sourced from PubChem (CID 155454874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).