2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol

C37H35N3O — CID 176862333

IUPAC2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol
SMILESCc1cc(-c2ccccc2O)nc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1-c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C37H35N3O/c1-22(2)27-19-28(23(3)4)21-29(20-27)35-24(5)17-33(30-13-6-9-16-34(30)41)38-36(35)25-11-10-12-26(18-25)37-39-31-14-7-8-15-32(31)40-37/h6-23,41H,1-5H3,(H,39,40)
InChIKeyWHVKNSCDSWISRI-UHFFFAOYSA-N
MW537.71 g/mol
LogP9.89
Rot. Bonds6

About 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol

2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol (PubChem CID 176862333) has the molecular formula C37H35N3O and a molecular weight of 537.71 g/mol. Its IUPAC name is 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol
PubChem CID176862333
Molecular FormulaC37H35N3O
Molecular Weight537.71 g/mol
Exact Mass537.28
IUPAC Name2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol
SMILESCc1cc(-c2ccccc2O)nc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1-c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C37H35N3O/c1-22(2)27-19-28(23(3)4)21-29(20-27)35-24(5)17-33(30-13-6-9-16-34(30)41)38-36(35)25-11-10-12-26(18-25)37-39-31-14-7-8-15-32(31)40-37/h6-23,41H,1-5H3,(H,39,40)
InChIKeyWHVKNSCDSWISRI-UHFFFAOYSA-N
XLogP9.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
CID 70037034
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
CID 168553508
2-[2-hydroxy-3-(3-propan-2-ylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 136601484
2-(3-butylsulfanylphenyl)-1H-benzimidazole
CID 168553699

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol (CID 176862333) is 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol is Cc1cc(-c2ccccc2O)nc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1-c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol?
The InChIKey is WHVKNSCDSWISRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N3O/c1-22(2)27-19-28(23(3)4)21-29(20-27)35-24(5)17-33(30-13-6-9-16-34(30)41)38-36(35)25-11-10-12-26(18-25)37-39-31-14-7-8-15-32(31)40-37/h6-23,41H,1-5H3,(H,39,40).
What are the key properties of 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol?
2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol has a molecular weight of 537.71 g/mol, XLogP of 9.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol is sourced from PubChem (CID 176862333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).