5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one

C15H15N3O — CID 82174406

IUPAC5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1C(N)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-9-7-12-13(18-15(19)17-12)8-11(9)14(16)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H2,17,18,19)
InChIKeyXHRGXSXCFFTKNE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.21
Rot. Bonds2

About 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one

5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174406) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID82174406
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1C(N)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-9-7-12-13(18-15(19)17-12)8-11(9)14(16)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H2,17,18,19)
InChIKeyXHRGXSXCFFTKNE-UHFFFAOYSA-N
XLogP2.21
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 82174406) is 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1C(N)c1ccccc1.
What is the InChIKey of 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XHRGXSXCFFTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-7-12-13(18-15(19)17-12)8-11(9)14(16)10-5-3-2-4-6-10/h2-8,14H,16H2,1H3,(H2,17,18,19).
What are the key properties of 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).