N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

C18H19N3O — CID 25157266

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C18H19N3O/c1-22-13-10-9-12-5-4-8-15(14(12)11-13)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21)
InChIKeyZPWNLPDGTDKHGO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.06
Rot. Bonds3

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 25157266) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID25157266
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C18H19N3O/c1-22-13-10-9-12-5-4-8-15(14(12)11-13)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21)
InChIKeyZPWNLPDGTDKHGO-UHFFFAOYSA-N
XLogP4.06
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 25157266) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is COc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is ZPWNLPDGTDKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-13-10-9-12-5-4-8-15(14(12)11-13)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 25157266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).