1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol

C18H15N3O — CID 787416

IUPAC1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-10,22H,11H2,(H2,19,20,21)
InChIKeyLESBHTSZBYJXQC-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.03
Rot. Bonds3

About 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol

1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol (PubChem CID 787416) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol
PubChem CID787416
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-10,22H,11H2,(H2,19,20,21)
InChIKeyLESBHTSZBYJXQC-UHFFFAOYSA-N
XLogP4.03
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol (CID 787416) is 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol?
The InChIKey is LESBHTSZBYJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-10,22H,11H2,(H2,19,20,21).
What are the key properties of 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol?
1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol has a molecular weight of 289.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-benzimidazol-2-ylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 787416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).