N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine

C15H15N3O — CID 923830

IUPACN-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C15H15N3O/c1-18-14-6-4-3-5-13(14)17-15(18)16-11-7-9-12(19-2)10-8-11/h3-10H,1-2H3,(H,16,17)
InChIKeyLLGLGQPJEWTVEV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.33
Rot. Bonds3

About N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine

N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine (PubChem CID 923830) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine
PubChem CID923830
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C15H15N3O/c1-18-14-6-4-3-5-13(14)17-15(18)16-11-7-9-12(19-2)10-8-11/h3-10H,1-2H3,(H,16,17)
InChIKeyLLGLGQPJEWTVEV-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine (CID 923830) is N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine is COc1ccc(Nc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine?
The InChIKey is LLGLGQPJEWTVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-14-6-4-3-5-13(14)17-15(18)16-11-7-9-12(19-2)10-8-11/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine?
N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 923830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).