3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol

C18H20N2O — CID 2905478

IUPAC3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O/c1-14-8-10-15(11-9-14)13-20-17-6-3-2-5-16(17)19-18(20)7-4-12-21/h2-3,5-6,8-11,21H,4,7,12-13H2,1H3
InChIKeyGKSFXQREGVIIDB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.32
Rot. Bonds5

About 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol

3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 2905478) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol
PubChem CID2905478
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O/c1-14-8-10-15(11-9-14)13-20-17-6-3-2-5-16(17)19-18(20)7-4-12-21/h2-3,5-6,8-11,21H,4,7,12-13H2,1H3
InChIKeyGKSFXQREGVIIDB-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol (CID 2905478) is 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol is Cc1ccc(Cn2c(CCCO)nc3ccccc32)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is GKSFXQREGVIIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-8-10-15(11-9-14)13-20-17-6-3-2-5-16(17)19-18(20)7-4-12-21/h2-3,5-6,8-11,21H,4,7,12-13H2,1H3.
What are the key properties of 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).