4-(5-methoxybenzimidazol-1-yl)aniline

C14H13N3O — CID 5328512

IUPAC4-(5-methoxybenzimidazol-1-yl)aniline
SMILESCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-6-7-14-13(8-12)16-9-17(14)11-4-2-10(15)3-5-11/h2-9H,15H2,1H3
InChIKeyKLJLVCKIKCKKEA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds2

About 4-(5-methoxybenzimidazol-1-yl)aniline

4-(5-methoxybenzimidazol-1-yl)aniline (PubChem CID 5328512) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(5-methoxybenzimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-(5-methoxybenzimidazol-1-yl)aniline
PubChem CID5328512
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(5-methoxybenzimidazol-1-yl)aniline
SMILESCOc1ccc2c(c1)ncn2-c1ccc(N)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-6-7-14-13(8-12)16-9-17(14)11-4-2-10(15)3-5-11/h2-9H,15H2,1H3
InChIKeyKLJLVCKIKCKKEA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxybenzimidazol-1-yl)aniline?
The IUPAC name of 4-(5-methoxybenzimidazol-1-yl)aniline (CID 5328512) is 4-(5-methoxybenzimidazol-1-yl)aniline.
What is the SMILES notation for 4-(5-methoxybenzimidazol-1-yl)aniline?
The canonical SMILES for 4-(5-methoxybenzimidazol-1-yl)aniline is COc1ccc2c(c1)ncn2-c1ccc(N)cc1.
What is the InChIKey of 4-(5-methoxybenzimidazol-1-yl)aniline?
The InChIKey is KLJLVCKIKCKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-12-6-7-14-13(8-12)16-9-17(14)11-4-2-10(15)3-5-11/h2-9H,15H2,1H3.
What are the key properties of 4-(5-methoxybenzimidazol-1-yl)aniline?
4-(5-methoxybenzimidazol-1-yl)aniline 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 4-(5-methoxybenzimidazol-1-yl)aniline is sourced from PubChem (CID 5328512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).