2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol

C23H23N3O — CID 168510603

IUPAC2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2[nH]c(-c3cccc(CNCCO)c3)nc12
InChIInChI=1S/C23H23N3O/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)26-23(25-21)19-9-5-6-17(14-19)15-24-12-13-27/h2-11,14,24,27H,12-13,15H2,1H3,(H,25,26)
InChIKeyNYQPBXJWCKKTJV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.29
Rot. Bonds6

About 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol

2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol (PubChem CID 168510603) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
PubChem CID168510603
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2[nH]c(-c3cccc(CNCCO)c3)nc12
InChIInChI=1S/C23H23N3O/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)26-23(25-21)19-9-5-6-17(14-19)15-24-12-13-27/h2-11,14,24,27H,12-13,15H2,1H3,(H,25,26)
InChIKeyNYQPBXJWCKKTJV-UHFFFAOYSA-N
XLogP4.29
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol (CID 168510603) is 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol is Cc1c(-c2ccccc2)ccc2[nH]c(-c3cccc(CNCCO)c3)nc12.
What is the InChIKey of 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The InChIKey is NYQPBXJWCKKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-20(18-7-3-2-4-8-18)10-11-21-22(16)26-23(25-21)19-9-5-6-17(14-19)15-24-12-13-27/h2-11,14,24,27H,12-13,15H2,1H3,(H,25,26).
What are the key properties of 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol has a molecular weight of 357.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol is sourced from PubChem (CID 168510603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).