2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

C18H15N7O — CID 164608869

IUPAC2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1
InChIInChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25)
InChIKeyVLWQVIPOWLBOPP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.45
Rot. Bonds4

About 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide

2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 164608869) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID164608869
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1
InChIInChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25)
InChIKeyVLWQVIPOWLBOPP-UHFFFAOYSA-N
XLogP2.45
TPSA154.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
Roscovitine derivative 1
CID 73353575
6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
CID 133053541
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
6-(furan-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538801

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide (CID 164608869) is 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N/[H])nc4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is VLWQVIPOWLBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-16(20)9-1-3-11-13(7-9)25-18(24-11)15-6-5-14(26-15)10-2-4-12(17(21)22)23-8-10/h1-8H,(H3,19,20)(H3,21,22)(H,24,25).
What are the key properties of 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide?
2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 345.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-carbamimidoyl-3-pyridinyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 164608869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).