(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol

C17H18N2O — CID 156599553

IUPAC(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyALKXKMROLUPKRL-INIZCTEOSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds3

About (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol

(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol (PubChem CID 156599553) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
PubChem CID156599553
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyALKXKMROLUPKRL-INIZCTEOSA-N
XLogP3.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol (CID 156599553) is (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol?
The InChIKey is ALKXKMROLUPKRL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol?
(S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol has a molecular weight of 266.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1H-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 156599553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).