N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

C17H19N3O — CID 43746372

IUPACN-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCCOc1ccccc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-3-21-17-7-5-4-6-13(17)11-18-14-8-9-15-16(10-14)20-12(2)19-15/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeySGEPFUGAQYFGMK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746372) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746372
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCCOc1ccccc1CNc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-3-21-17-7-5-4-6-13(17)11-18-14-8-9-15-16(10-14)20-12(2)19-15/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeySGEPFUGAQYFGMK-UHFFFAOYSA-N
XLogP3.88
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231044
N-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746512
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 61038267
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 43746372) is N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is CCOc1ccccc1CNc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is SGEPFUGAQYFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-21-17-7-5-4-6-13(17)11-18-14-8-9-15-16(10-14)20-12(2)19-15/h4-10,18H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).