5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C16H17N3O2 — CID 43186872

IUPAC5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C
InChIInChI=1S/C16H17N3O2/c1-9-3-4-11(8-14(9)21-2)15(17)10-5-6-12-13(7-10)19-16(20)18-12/h3-8,15H,17H2,1-2H3,(H2,18,19,20)
InChIKeyWHZMWARHMXIVIX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds3

About 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186872) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186872
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C
InChIInChI=1S/C16H17N3O2/c1-9-3-4-11(8-14(9)21-2)15(17)10-5-6-12-13(7-10)19-16(20)18-12/h3-8,15H,17H2,1-2H3,(H2,18,19,20)
InChIKeyWHZMWARHMXIVIX-UHFFFAOYSA-N
XLogP2.22
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186862
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186872) is 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is COc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C.
What is the InChIKey of 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WHZMWARHMXIVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-3-4-11(8-14(9)21-2)15(17)10-5-6-12-13(7-10)19-16(20)18-12/h3-8,15H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).