methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline

C15H17N3 — CID 159476815

IUPACmethane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESC.Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C14H13N3.CH4/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;/h2-8H,15H2,1H3,(H,16,17);1H4
InChIKeyLWMFVANHQZNHFL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.76
Rot. Bonds1

About methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline

methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline (PubChem CID 159476815) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Namemethane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
PubChem CID159476815
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Namemethane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESC.Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C14H13N3.CH4/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;/h2-8H,15H2,1H3,(H,16,17);1H4
InChIKeyLWMFVANHQZNHFL-UHFFFAOYSA-N
XLogP3.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline (CID 159476815) is methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline is C.Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1.
What is the InChIKey of methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is LWMFVANHQZNHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.CH4/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10;/h2-8H,15H2,1H3,(H,16,17);1H4.
What are the key properties of methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline?
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 239.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 159476815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).