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

C23H23N3O — CID 170535626

IUPAC2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2[nH]c(-c3ccc(CNCCO)cc3)nc12
InChIInChI=1S/C23H23N3O/c1-16-20(18-5-3-2-4-6-18)11-12-21-22(16)26-23(25-21)19-9-7-17(8-10-19)15-24-13-14-27/h2-12,24,27H,13-15H2,1H3,(H,25,26)
InChIKeyMDCDXCBDSVEJAA-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.29
Rot. Bonds6

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

2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol (PubChem CID 170535626) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
PubChem CID170535626
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)ccc2[nH]c(-c3ccc(CNCCO)cc3)nc12
InChIInChI=1S/C23H23N3O/c1-16-20(18-5-3-2-4-6-18)11-12-21-22(16)26-23(25-21)19-9-7-17(8-10-19)15-24-13-14-27/h2-12,24,27H,13-15H2,1H3,(H,25,26)
InChIKeyMDCDXCBDSVEJAA-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-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol (CID 170535626) is 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol is Cc1c(-c2ccccc2)ccc2[nH]c(-c3ccc(CNCCO)cc3)nc12.
What is the InChIKey of 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
The InChIKey is MDCDXCBDSVEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-20(18-5-3-2-4-6-18)11-12-21-22(16)26-23(25-21)19-9-7-17(8-10-19)15-24-13-14-27/h2-12,24,27H,13-15H2,1H3,(H,25,26).
What are the key properties of 2-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol?
2-[[4-(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-[[4-(4-methyl-5-phenyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethanol is sourced from PubChem (CID 170535626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).