1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea

C16H15N7O — CID 167748960

IUPAC1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
SMILESCn1cnc2cc(CNC(=O)Nc3cnc4cccnn34)ccc21
InChIInChI=1S/C16H15N7O/c1-22-10-19-12-7-11(4-5-13(12)22)8-18-16(24)21-15-9-17-14-3-2-6-20-23(14)15/h2-7,9-10H,8H2,1H3,(H2,18,21,24)
InChIKeyITSAEVWJNCJXNG-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.94
Rot. Bonds3

About 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea

1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea (PubChem CID 167748960) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
PubChem CID167748960
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
SMILESCn1cnc2cc(CNC(=O)Nc3cnc4cccnn34)ccc21
InChIInChI=1S/C16H15N7O/c1-22-10-19-12-7-11(4-5-13(12)22)8-18-16(24)21-15-9-17-14-3-2-6-20-23(14)15/h2-7,9-10H,8H2,1H3,(H2,18,21,24)
InChIKeyITSAEVWJNCJXNG-UHFFFAOYSA-N
XLogP1.94
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
2-[3-[(1-methylbenzimidazol-5-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167923829

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea (CID 167748960) is 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea is Cn1cnc2cc(CNC(=O)Nc3cnc4cccnn34)ccc21.
What is the InChIKey of 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The InChIKey is ITSAEVWJNCJXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-22-10-19-12-7-11(4-5-13(12)22)8-18-16(24)21-15-9-17-14-3-2-6-20-23(14)15/h2-7,9-10H,8H2,1H3,(H2,18,21,24).
What are the key properties of 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea has a molecular weight of 321.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 167748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).