2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline

C15H19N3 — CID 82117589

IUPAC2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline
SMILESCc1ccc(-c2nc3c(n2C)CCCC3)cc1N
InChIInChI=1S/C15H19N3/c1-10-7-8-11(9-12(10)16)15-17-13-5-3-4-6-14(13)18(15)2/h7-9H,3-6,16H2,1-2H3
InChIKeyANAOINQFDRPEFA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.86
Rot. Bonds1

About 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline

2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline (PubChem CID 82117589) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline
PubChem CID82117589
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline
SMILESCc1ccc(-c2nc3c(n2C)CCCC3)cc1N
InChIInChI=1S/C15H19N3/c1-10-7-8-11(9-12(10)16)15-17-13-5-3-4-6-14(13)18(15)2/h7-9H,3-6,16H2,1-2H3
InChIKeyANAOINQFDRPEFA-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline?
The IUPAC name of 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline (CID 82117589) is 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline?
The canonical SMILES for 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline is Cc1ccc(-c2nc3c(n2C)CCCC3)cc1N.
What is the InChIKey of 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline?
The InChIKey is ANAOINQFDRPEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-7-8-11(9-12(10)16)15-17-13-5-3-4-6-14(13)18(15)2/h7-9H,3-6,16H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline?
2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline has a molecular weight of 241.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)aniline is sourced from PubChem (CID 82117589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).