(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone

C23H21N5O3 — CID 59351424

IUPAC(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C23H21N5O3/c1-27-19-5-3-2-4-18(19)26-21(27)20(29)16-6-8-17(9-7-16)31-23-22(24-10-11-25-23)28-12-14-30-15-13-28/h2-11H,12-15H2,1H3
InChIKeyYNCIDBYSTGADKV-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.22
Rot. Bonds5

About (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone

(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone (PubChem CID 59351424) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
PubChem CID59351424
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C23H21N5O3/c1-27-19-5-3-2-4-18(19)26-21(27)20(29)16-6-8-17(9-7-16)31-23-22(24-10-11-25-23)28-12-14-30-15-13-28/h2-11H,12-15H2,1H3
InChIKeyYNCIDBYSTGADKV-UHFFFAOYSA-N
XLogP3.22
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Serabelisib
CID 70798655
Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
4-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-butan-1-one
CID 44372383

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone (CID 59351424) is (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone is Cn1c(C(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
The InChIKey is YNCIDBYSTGADKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-27-19-5-3-2-4-18(19)26-21(27)20(29)16-6-8-17(9-7-16)31-23-22(24-10-11-25-23)28-12-14-30-15-13-28/h2-11H,12-15H2,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone?
(1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone has a molecular weight of 415.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone is sourced from PubChem (CID 59351424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).