1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine

C13H13N3O — CID 614910

IUPAC1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3n2C)o1
InChIInChI=1S/C13H13N3O/c1-8-3-6-12(17-8)13-15-10-7-9(14)4-5-11(10)16(13)2/h3-7H,14H2,1-2H3
InChIKeyZJGUHSOEWQNPHF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds1

About 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine

1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine (PubChem CID 614910) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine
PubChem CID614910
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine
SMILESCc1ccc(-c2nc3cc(N)ccc3n2C)o1
InChIInChI=1S/C13H13N3O/c1-8-3-6-12(17-8)13-15-10-7-9(14)4-5-11(10)16(13)2/h3-7H,14H2,1-2H3
InChIKeyZJGUHSOEWQNPHF-UHFFFAOYSA-N
XLogP2.72
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fuberidazole
CID 19756
AC1903
CID 667146
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
CID 828702
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1H-Benzimidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CID 665033
5-bromo-2-(5-bromofuran-2-yl)-1-methyl-1H-benzimidazole
CID 665062
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
2-(5-Methyl-2-furyl)benzimidazole
CID 827976
N-(1-isopropyl-1H-benzimidazol-5-yl)-2-furamide
CID 828710
Furan-2-carboxylic acid (1-tert-butyl-1H-benzoimidazol-5-yl)-amide
CID 828711
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-2-furamide
CID 828712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine?
The IUPAC name of 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine (CID 614910) is 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine?
The canonical SMILES for 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine is Cc1ccc(-c2nc3cc(N)ccc3n2C)o1.
What is the InChIKey of 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine?
The InChIKey is ZJGUHSOEWQNPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-3-6-12(17-8)13-15-10-7-9(14)4-5-11(10)16(13)2/h3-7H,14H2,1-2H3.
What are the key properties of 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine?
1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylfuran-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 614910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).