1-(4-methoxyphenyl)benzimidazol-5-amine

C14H13N3O — CID 783122

IUPAC1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(N)ccc32)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-5-3-11(4-6-12)17-9-16-13-8-10(15)2-7-14(13)17/h2-9H,15H2,1H3
InChIKeyAKZKDPVPYUBENY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-methoxyphenyl)benzimidazol-5-amine

1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 783122) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID783122
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(N)ccc32)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-5-3-11(4-6-12)17-9-16-13-8-10(15)2-7-14(13)17/h2-9H,15H2,1H3
InChIKeyAKZKDPVPYUBENY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)benzimidazol-5-amine (CID 783122) is 1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(N)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is AKZKDPVPYUBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-12-5-3-11(4-6-12)17-9-16-13-8-10(15)2-7-14(13)17/h2-9H,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)benzimidazol-5-amine?
1-(4-methoxyphenyl)benzimidazol-5-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-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 783122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).