1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol

C20H19N3O — CID 715157

IUPAC1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
SMILESCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-12,24H,2,13H2,1H3,(H,21,22)
InChIKeyAVJMVSMLWCCZGJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.53
Rot. Bonds4

About 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol

1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol (PubChem CID 715157) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
PubChem CID715157
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
SMILESCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C20H19N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-12,24H,2,13H2,1H3,(H,21,22)
InChIKeyAVJMVSMLWCCZGJ-UHFFFAOYSA-N
XLogP4.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
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 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol (CID 715157) is 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol is CCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is AVJMVSMLWCCZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-23-18-10-6-5-9-17(18)22-20(23)21-13-16-15-8-4-3-7-14(15)11-12-19(16)24/h3-12,24H,2,13H2,1H3,(H,21,22).
What are the key properties of 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 317.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 715157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).