2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide

C20H17N7O — CID 70079658

IUPAC2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(Cc3nc4ncccc4n3Cc3ccco3)[nH]c2c1
InChIInChI=1S/C20H17N7O/c21-19(22)12-5-6-14-15(9-12)25-17(24-14)10-18-26-20-16(4-1-7-23-20)27(18)11-13-3-2-8-28-13/h1-9H,10-11H2,(H3,21,22)(H,24,25)
InChIKeyRTMRAWRICGRYQV-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.82
Rot. Bonds5

About 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide

2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide (PubChem CID 70079658) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
PubChem CID70079658
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(Cc3nc4ncccc4n3Cc3ccco3)[nH]c2c1
InChIInChI=1S/C20H17N7O/c21-19(22)12-5-6-14-15(9-12)25-17(24-14)10-18-26-20-16(4-1-7-23-20)27(18)11-13-3-2-8-28-13/h1-9H,10-11H2,(H3,21,22)(H,24,25)
InChIKeyRTMRAWRICGRYQV-UHFFFAOYSA-N
XLogP2.82
TPSA122.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide (CID 70079658) is 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(Cc3nc4ncccc4n3Cc3ccco3)[nH]c2c1.
What is the InChIKey of 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is RTMRAWRICGRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-19(22)12-5-6-14-15(9-12)25-17(24-14)10-18-26-20-16(4-1-7-23-20)27(18)11-13-3-2-8-28-13/h1-9H,10-11H2,(H3,21,22)(H,24,25).
What are the key properties of 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide?
2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 371.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 70079658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).