[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine

C17H19N3O — CID 82334325

IUPAC[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
SMILESCOc1ccc2c(c1)nc(CN)n2C(C)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-4-3-5-7-13)20-16-9-8-14(21-2)10-15(16)19-17(20)11-18/h3-10,12H,11,18H2,1-2H3
InChIKeyAVRQBZRLOUXBGR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds4

About [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine

[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine (PubChem CID 82334325) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
PubChem CID82334325
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
SMILESCOc1ccc2c(c1)nc(CN)n2C(C)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-12(13-6-4-3-5-7-13)20-16-9-8-14(21-2)10-15(16)19-17(20)11-18/h3-10,12H,11,18H2,1-2H3
InChIKeyAVRQBZRLOUXBGR-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine?
The IUPAC name of [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine (CID 82334325) is [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine is COc1ccc2c(c1)nc(CN)n2C(C)c1ccccc1.
What is the InChIKey of [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine?
The InChIKey is AVRQBZRLOUXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-6-4-3-5-7-13)20-16-9-8-14(21-2)10-15(16)19-17(20)11-18/h3-10,12H,11,18H2,1-2H3.
What are the key properties of [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine?
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82334325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).