N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine

C17H19N3O2 — CID 133410298

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
SMILESCCOc1cc(CNc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C17H19N3O2/c1-3-22-16-10-12(8-9-15(16)21-2)11-18-17-19-13-6-4-5-7-14(13)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyWKKUOOYMPQJVQK-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.58
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 133410298) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID133410298
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
SMILESCCOc1cc(CNc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C17H19N3O2/c1-3-22-16-10-12(8-9-15(16)21-2)11-18-17-19-13-6-4-5-7-14(13)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyWKKUOOYMPQJVQK-UHFFFAOYSA-N
XLogP3.58
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741427
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
2-[4-[(1H-benzimidazol-2-ylmethylamino)methyl]-2-ethoxyphenoxy]-N-tert-butylacetamide
CID 66526694
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine (CID 133410298) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine is CCOc1cc(CNc2nc3ccccc3[nH]2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is WKKUOOYMPQJVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-16-10-12(8-9-15(16)21-2)11-18-17-19-13-6-4-5-7-14(13)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).