2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide

C19H18N6O2 — CID 118714722

IUPAC2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1c(-c2ccc(CNc3ccncc3)o2)nc2ccccc21
InChIInChI=1S/C19H18N6O2/c20-24-18(26)12-25-16-4-2-1-3-15(16)23-19(25)17-6-5-14(27-17)11-22-13-7-9-21-10-8-13/h1-10H,11-12,20H2,(H,21,22)(H,24,26)
InChIKeyGRGQKPUSPPAJKE-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.29
Rot. Bonds6

About 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide

2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide (PubChem CID 118714722) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide
PubChem CID118714722
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1c(-c2ccc(CNc3ccncc3)o2)nc2ccccc21
InChIInChI=1S/C19H18N6O2/c20-24-18(26)12-25-16-4-2-1-3-15(16)23-19(25)17-6-5-14(27-17)11-22-13-7-9-21-10-8-13/h1-10H,11-12,20H2,(H,21,22)(H,24,26)
InChIKeyGRGQKPUSPPAJKE-UHFFFAOYSA-N
XLogP2.29
TPSA111.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide?
The IUPAC name of 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide (CID 118714722) is 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide is NNC(=O)Cn1c(-c2ccc(CNc3ccncc3)o2)nc2ccccc21.
What is the InChIKey of 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide?
The InChIKey is GRGQKPUSPPAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-24-18(26)12-25-16-4-2-1-3-15(16)23-19(25)17-6-5-14(27-17)11-22-13-7-9-21-10-8-13/h1-10H,11-12,20H2,(H,21,22)(H,24,26).
What are the key properties of 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide?
2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide has a molecular weight of 362.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(pyridin-4-ylamino)methyl]furan-2-yl]benzimidazol-1-yl]acetohydrazide is sourced from PubChem (CID 118714722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).