1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine

C17H19N3O — CID 105107290

IUPAC1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C17H19N3O/c1-21-17-9-5-2-6-13(17)10-14(18)11-20-12-19-15-7-3-4-8-16(15)20/h2-9,12,14H,10-11,18H2,1H3
InChIKeyOFZVDJUAINAMQL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds5

About 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine

1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 105107290) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID105107290
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C17H19N3O/c1-21-17-9-5-2-6-13(17)10-14(18)11-20-12-19-15-7-3-4-8-16(15)20/h2-9,12,14H,10-11,18H2,1H3
InChIKeyOFZVDJUAINAMQL-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105159359
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-amine
CID 105158489
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168831
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
1-(benzimidazol-1-yl)hept-5-yn-2-amine
CID 105181339
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine (CID 105107290) is 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is OFZVDJUAINAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-17-9-5-2-6-13(17)10-14(18)11-20-12-19-15-7-3-4-8-16(15)20/h2-9,12,14H,10-11,18H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine?
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 105107290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).