(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol

C20H24N2O — CID 929475

IUPAC(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@H](O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)15-9-11-16(12-10-15)19(23)20-21-17-7-5-6-8-18(17)22(20)14(3)4/h5-14,19,23H,1-4H3/t19-/m0/s1
InChIKeyYFRSTFUDGNKZSS-IBGZPJMESA-N
MW308.43 g/mol
LogP4.82
Rot. Bonds4

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

(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 929475) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID929475
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@H](O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)15-9-11-16(12-10-15)19(23)20-21-17-7-5-6-8-18(17)22(20)14(3)4/h5-14,19,23H,1-4H3/t19-/m0/s1
InChIKeyYFRSTFUDGNKZSS-IBGZPJMESA-N
XLogP4.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol (CID 929475) is (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@H](O)c2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is YFRSTFUDGNKZSS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)15-9-11-16(12-10-15)19(23)20-21-17-7-5-6-8-18(17)22(20)14(3)4/h5-14,19,23H,1-4H3/t19-/m0/s1.
What are the key properties of (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol?
(S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 308.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(1-propan-2-ylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 929475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).