[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine

C16H17N3O — CID 104721312

IUPAC[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
SMILESCOC(c1ccccc1)c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-20-15(11-6-3-2-4-7-11)16-18-13-9-5-8-12(10-17)14(13)19-16/h2-9,15H,10,17H2,1H3,(H,18,19)
InChIKeyOFWMKZJCXQYHDO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.76
Rot. Bonds4

About [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine

[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721312) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
PubChem CID104721312
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
SMILESCOC(c1ccccc1)c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-20-15(11-6-3-2-4-7-11)16-18-13-9-5-8-12(10-17)14(13)19-16/h2-9,15H,10,17H2,1H3,(H,18,19)
InChIKeyOFWMKZJCXQYHDO-UHFFFAOYSA-N
XLogP2.76
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine (CID 104721312) is [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine is COC(c1ccccc1)c1nc2c(CN)cccc2[nH]1.
What is the InChIKey of [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine?
The InChIKey is OFWMKZJCXQYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-15(11-6-3-2-4-7-11)16-18-13-9-5-8-12(10-17)14(13)19-16/h2-9,15H,10,17H2,1H3,(H,18,19).
What are the key properties of [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine?
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).