5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

C16H17N3O2 — CID 43186861

IUPAC5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(CC(N)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H17N3O2/c1-21-12-4-2-3-10(7-12)8-13(17)11-5-6-14-15(9-11)19-16(20)18-14/h2-7,9,13H,8,17H2,1H3,(H2,18,19,20)
InChIKeyIQGXJYYHYMGZHD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds4

About 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186861) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186861
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(CC(N)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H17N3O2/c1-21-12-4-2-3-10(7-12)8-13(17)11-5-6-14-15(9-11)19-16(20)18-14/h2-7,9,13H,8,17H2,1H3,(H2,18,19,20)
InChIKeyIQGXJYYHYMGZHD-UHFFFAOYSA-N
XLogP2.11
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43186861) is 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is COc1cccc(CC(N)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IQGXJYYHYMGZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-12-4-2-3-10(7-12)8-13(17)11-5-6-14-15(9-11)19-16(20)18-14/h2-7,9,13H,8,17H2,1H3,(H2,18,19,20).
What are the key properties of 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(3-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).