4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine

C27H27N7O2 — CID 174175068

IUPAC4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
SMILESC1=NCN(c2cccc(-c3nc4ccc(OCCN5CCOCC5)cc4[nH]3)c2)C=C1c1cccnn1
InChIInChI=1S/C27H27N7O2/c1-3-20(15-22(4-1)34-18-21(17-28-19-34)24-5-2-8-29-32-24)27-30-25-7-6-23(16-26(25)31-27)36-14-11-33-9-12-35-13-10-33/h1-8,15-18H,9-14,19H2,(H,30,31)
InChIKeyZIBCHNCVPRMBOE-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.62
Rot. Bonds7

About 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine

4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine (PubChem CID 174175068) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
PubChem CID174175068
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
SMILESC1=NCN(c2cccc(-c3nc4ccc(OCCN5CCOCC5)cc4[nH]3)c2)C=C1c1cccnn1
InChIInChI=1S/C27H27N7O2/c1-3-20(15-22(4-1)34-18-21(17-28-19-34)24-5-2-8-29-32-24)27-30-25-7-6-23(16-26(25)31-27)36-14-11-33-9-12-35-13-10-33/h1-8,15-18H,9-14,19H2,(H,30,31)
InChIKeyZIBCHNCVPRMBOE-UHFFFAOYSA-N
XLogP3.62
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
CID 153469808
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 174175114
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine
CID 59243024
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine
CID 154196366
N,N-diethyl-3-[6-(2-morpholin-4-ylethoxy)-1H-benzimidazol-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 135750802
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
4-[2-[2-ethoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]ethyl]morpholine
CID 103596960
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine (CID 174175068) is 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine is C1=NCN(c2cccc(-c3nc4ccc(OCCN5CCOCC5)cc4[nH]3)c2)C=C1c1cccnn1.
What is the InChIKey of 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
The InChIKey is ZIBCHNCVPRMBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-20(15-22(4-1)34-18-21(17-28-19-34)24-5-2-8-29-32-24)27-30-25-7-6-23(16-26(25)31-27)36-14-11-33-9-12-35-13-10-33/h1-8,15-18H,9-14,19H2,(H,30,31).
What are the key properties of 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine?
4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine has a molecular weight of 481.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[3-(5-pyridazin-3-yl-2H-pyrimidin-1-yl)phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 174175068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).