2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine

C12H11N3O — CID 63695093

IUPAC2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
SMILESCc1ccc(-c2nc3c(N)cccc3[nH]2)o1
InChIInChI=1S/C12H11N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(13)11(9)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyMMRIDUIBTACXTJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.71
Rot. Bonds1

About 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine

2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine (PubChem CID 63695093) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
PubChem CID63695093
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
SMILESCc1ccc(-c2nc3c(N)cccc3[nH]2)o1
InChIInChI=1S/C12H11N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(13)11(9)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyMMRIDUIBTACXTJ-UHFFFAOYSA-N
XLogP2.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
CID 14369059
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
CID 136785799
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
CID 63694063
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
CID 63693175
2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
CID 168553508
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine (CID 63695093) is 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine is Cc1ccc(-c2nc3c(N)cccc3[nH]2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine?
The InChIKey is MMRIDUIBTACXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-5-6-10(16-7)12-14-9-4-2-3-8(13)11(9)15-12/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine?
2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine has a molecular weight of 213.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63695093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).