N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine

C17H19N3O2 — CID 133410527

IUPACN-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
SMILESCOc1ccccc1OC(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c1-12(22-16-10-6-5-9-15(16)21-2)11-18-17-19-13-7-3-4-8-14(13)20-17/h3-10,12H,11H2,1-2H3,(H2,18,19,20)
InChIKeyYTWIRNUQQAFNRP-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine

N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine (PubChem CID 133410527) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
PubChem CID133410527
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
SMILESCOc1ccccc1OC(C)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c1-12(22-16-10-6-5-9-15(16)21-2)11-18-17-19-13-7-3-4-8-14(13)20-17/h3-10,12H,11H2,1-2H3,(H2,18,19,20)
InChIKeyYTWIRNUQQAFNRP-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine (CID 133410527) is N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine is COc1ccccc1OC(C)CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine?
The InChIKey is YTWIRNUQQAFNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(22-16-10-6-5-9-15(16)21-2)11-18-17-19-13-7-3-4-8-14(13)20-17/h3-10,12H,11H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine?
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).