furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine

C17H14N4O3 — CID 134366826

IUPACfuran-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccncc3)[nH]c2c1.O=C(O)c1ccoc1
InChIInChI=1S/C12H10N4.C5H4O3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;6-5(7)4-1-2-8-3-4/h1-7H,13H2,(H,15,16);1-3H,(H,6,7)
InChIKeyDLYIKBZDTZPJLC-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.18
Rot. Bonds2

About furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine

furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine (PubChem CID 134366826) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Namefuran-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine
PubChem CID134366826
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Namefuran-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccncc3)[nH]c2c1.O=C(O)c1ccoc1
InChIInChI=1S/C12H10N4.C5H4O3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;6-5(7)4-1-2-8-3-4/h1-7H,13H2,(H,15,16);1-3H,(H,6,7)
InChIKeyDLYIKBZDTZPJLC-UHFFFAOYSA-N
XLogP3.18
TPSA118.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
1-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 58408811
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176

Frequently Asked Questions

What is the IUPAC name of furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine?
The IUPAC name of furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine (CID 134366826) is furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine.
What is the SMILES notation for furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine?
The canonical SMILES for furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccncc3)[nH]c2c1.O=C(O)c1ccoc1.
What is the InChIKey of furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine?
The InChIKey is DLYIKBZDTZPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4.C5H4O3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;6-5(7)4-1-2-8-3-4/h1-7H,13H2,(H,15,16);1-3H,(H,6,7).
What are the key properties of furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine?
furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine has a molecular weight of 322.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carboxylic acid;2-pyridin-4-yl-3H-benzimidazol-5-amine is sourced from PubChem (CID 134366826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).