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

C17H19N3O — CID 977700

IUPACN-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCOc1ccccc1CNc1nc2ccccc2n1C
InChIInChI=1S/C17H19N3O/c1-3-21-16-11-7-4-8-13(16)12-18-17-19-14-9-5-6-10-15(14)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyMMNTVKDITYUZPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.58
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 977700) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID977700
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCCOc1ccccc1CNc1nc2ccccc2n1C
InChIInChI=1S/C17H19N3O/c1-3-21-16-11-7-4-8-13(16)12-18-17-19-14-9-5-6-10-15(14)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyMMNTVKDITYUZPU-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

Analyze N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (CID 977700) is N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is CCOc1ccccc1CNc1nc2ccccc2n1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is MMNTVKDITYUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-21-16-11-7-4-8-13(16)12-18-17-19-14-9-5-6-10-15(14)20(17)2/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(2-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-[(2-ethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 977700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).