N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine

C17H19N3O — CID 1090103

IUPACN-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCOc1ccc(CNc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O/c1-3-21-14-10-8-13(9-11-14)12-18-17-19-15-6-4-5-7-16(15)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyGSYTVWCNCCVVPK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine

N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 1090103) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID1090103
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCOc1ccc(CNc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H19N3O/c1-3-21-14-10-8-13(9-11-14)12-18-17-19-15-6-4-5-7-16(15)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyGSYTVWCNCCVVPK-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (CID 1090103) is N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is CCOc1ccc(CNc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is GSYTVWCNCCVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-21-14-10-8-13(9-11-14)12-18-17-19-15-6-4-5-7-16(15)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 1090103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).