2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol

C16H16N2O — CID 147978461

IUPAC2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-10(2)11-7-8-15(19)12(9-11)16-17-13-5-3-4-6-14(13)18-16/h3-10,19H,1-2H3,(H,17,18)
InChIKeyISTCFBUHONPTPF-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.06
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol

2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol (PubChem CID 147978461) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
PubChem CID147978461
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-10(2)11-7-8-15(19)12(9-11)16-17-13-5-3-4-6-14(13)18-16/h3-10,19H,1-2H3,(H,17,18)
InChIKeyISTCFBUHONPTPF-UHFFFAOYSA-N
XLogP4.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(1H-benzimidazol-2-yl)-4-[(2-methylphenyl)diazenyl]phenol
CID 136742408
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol
CID 176862333
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
CID 1160309
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol (CID 147978461) is 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol is CC(C)c1ccc(O)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol?
The InChIKey is ISTCFBUHONPTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)11-7-8-15(19)12(9-11)16-17-13-5-3-4-6-14(13)18-16/h3-10,19H,1-2H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol?
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol has a molecular weight of 252.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol is sourced from PubChem (CID 147978461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).