1-(3-methoxyphenyl)benzimidazol-2-amine

C14H13N3O — CID 43148862

IUPAC1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccccc32)c1
InChIInChI=1S/C14H13N3O/c1-18-11-6-4-5-10(9-11)17-13-8-3-2-7-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKeyBFDOUMCQHZVFDI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-methoxyphenyl)benzimidazol-2-amine

1-(3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 43148862) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)benzimidazol-2-amine
PubChem CID43148862
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3ccccc32)c1
InChIInChI=1S/C14H13N3O/c1-18-11-6-4-5-10(9-11)17-13-8-3-2-7-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKeyBFDOUMCQHZVFDI-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)benzimidazol-2-amine (CID 43148862) is 1-(3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)benzimidazol-2-amine is COc1cccc(-n2c(N)nc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is BFDOUMCQHZVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-11-6-4-5-10(9-11)17-13-8-3-2-7-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16).
What are the key properties of 1-(3-methoxyphenyl)benzimidazol-2-amine?
1-(3-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43148862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).