phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol

C17H18N2O — CID 2851813

IUPACphenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCC(C)n1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
InChIKeyCCGMKVCKAXTOGX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.70
Rot. Bonds3

About phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol

phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol (PubChem CID 2851813) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
PubChem CID2851813
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Namephenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCC(C)n1c(C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
InChIKeyCCGMKVCKAXTOGX-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The IUPAC name of phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol (CID 2851813) is phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol.
What is the SMILES notation for phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The canonical SMILES for phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol is CC(C)n1c(C(O)c2ccccc2)nc2ccccc21.
What is the InChIKey of phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The InChIKey is CCGMKVCKAXTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3.
What are the key properties of phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol?
phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol has a molecular weight of 266.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2851813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).