(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol

C18H20N2O — CID 40692444

IUPAC(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc2ccccc2n1[C@@H](C)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(21)18-19-15-11-7-8-12-16(15)20(18)13(2)14-9-5-4-6-10-14/h4-13,17,21H,3H2,1-2H3/t13-,17+/m0/s1
InChIKeyWOMOUXTZMHOJHJ-SUMWQHHRSA-N
MW280.37 g/mol
LogP4.09
Rot. Bonds4

About (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol

(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 40692444) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID40692444
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc2ccccc2n1[C@@H](C)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-3-17(21)18-19-15-11-7-8-12-16(15)20(18)13(2)14-9-5-4-6-10-14/h4-13,17,21H,3H2,1-2H3/t13-,17+/m0/s1
InChIKeyWOMOUXTZMHOJHJ-SUMWQHHRSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973009
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol (CID 40692444) is (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol is CC[C@@H](O)c1nc2ccccc2n1[C@@H](C)c1ccccc1.
What is the InChIKey of (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is WOMOUXTZMHOJHJ-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-17(21)18-19-15-11-7-8-12-16(15)20(18)13(2)14-9-5-4-6-10-14/h4-13,17,21H,3H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol?
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 40692444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).