N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide

C18H15N5O3 — CID 121034403

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H15N5O3/c24-17-6-5-14(16-2-1-9-26-16)22-23(17)8-7-19-18(25)12-3-4-13-15(10-12)21-11-20-13/h1-6,9-11H,7-8H2,(H,19,25)(H,20,21)
InChIKeyCBENHAKZSTUFII-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 121034403) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID121034403
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H15N5O3/c24-17-6-5-14(16-2-1-9-26-16)22-23(17)8-7-19-18(25)12-3-4-13-15(10-12)21-11-20-13/h1-6,9-11H,7-8H2,(H,19,25)(H,20,21)
InChIKeyCBENHAKZSTUFII-UHFFFAOYSA-N
XLogP1.81
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905538
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110743625
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide (CID 121034403) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CBENHAKZSTUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-17-6-5-14(16-2-1-9-26-16)22-23(17)8-7-19-18(25)12-3-4-13-15(10-12)21-11-20-13/h1-6,9-11H,7-8H2,(H,19,25)(H,20,21).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 121034403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).