2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol

C19H24N4O — CID 155527978

IUPAC2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol
SMILESCCN(CCNc1nc2ccccc2[nH]1)Cc1cc(C)ccc1O
InChIInChI=1S/C19H24N4O/c1-3-23(13-15-12-14(2)8-9-18(15)24)11-10-20-19-21-16-6-4-5-7-17(16)22-19/h4-9,12,24H,3,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyIOPMTSXMVFVLMV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.51
Rot. Bonds7

About 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol

2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol (PubChem CID 155527978) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol
PubChem CID155527978
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol
SMILESCCN(CCNc1nc2ccccc2[nH]1)Cc1cc(C)ccc1O
InChIInChI=1S/C19H24N4O/c1-3-23(13-15-12-14(2)8-9-18(15)24)11-10-20-19-21-16-6-4-5-7-17(16)22-19/h4-9,12,24H,3,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyIOPMTSXMVFVLMV-UHFFFAOYSA-N
XLogP3.51
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol (CID 155527978) is 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol is CCN(CCNc1nc2ccccc2[nH]1)Cc1cc(C)ccc1O.
What is the InChIKey of 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol?
The InChIKey is IOPMTSXMVFVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23(13-15-12-14(2)8-9-18(15)24)11-10-20-19-21-16-6-4-5-7-17(16)22-19/h4-9,12,24H,3,10-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol?
2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol has a molecular weight of 324.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 155527978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).