N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide

C28H22N6O2 — CID 117093652

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(Oc3ccccc3)nn2)c2ccccc12)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H22N6O2/c35-27(29-17-25-30-22-11-5-6-12-23(22)31-25)16-19-18-34(24-13-7-4-10-21(19)24)26-14-15-28(33-32-26)36-20-8-2-1-3-9-20/h1-15,18H,16-17H2,(H,29,35)(H,30,31)
InChIKeyUZRGXRAAEKIDNP-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.95
Rot. Bonds7

About N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide (PubChem CID 117093652) has the molecular formula C28H22N6O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide
PubChem CID117093652
Molecular FormulaC28H22N6O2
Molecular Weight474.52 g/mol
Exact Mass474.18
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(Oc3ccccc3)nn2)c2ccccc12)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C28H22N6O2/c35-27(29-17-25-30-22-11-5-6-12-23(22)31-25)16-19-18-34(24-13-7-4-10-21(19)24)26-14-15-28(33-32-26)36-20-8-2-1-3-9-20/h1-15,18H,16-17H2,(H,29,35)(H,30,31)
InChIKeyUZRGXRAAEKIDNP-UHFFFAOYSA-N
XLogP4.95
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 117087597
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridazin-3-yl]indol-3-yl]acetamide
CID 117087599
2-[1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117093374
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
2-[1-[6-(isoquinolin-1-ylamino)pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117089055
N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
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CID 146022159
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520299
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide (CID 117093652) is N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide is O=C(Cc1cn(-c2ccc(Oc3ccccc3)nn2)c2ccccc12)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide?
The InChIKey is UZRGXRAAEKIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2/c35-27(29-17-25-30-22-11-5-6-12-23(22)31-25)16-19-18-34(24-13-7-4-10-21(19)24)26-14-15-28(33-32-26)36-20-8-2-1-3-9-20/h1-15,18H,16-17H2,(H,29,35)(H,30,31).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide has a molecular weight of 474.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[1-(6-phenoxypyridazin-3-yl)indol-3-yl]acetamide is sourced from PubChem (CID 117093652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).