1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate

C26H27N5O4 — CID 143998256

IUPAC1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate
SMILESCCOC=O.O=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O2.C3H6O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28;1-2-5-3-4/h2-3,6-13H,1,4-5,14-15H2,(H,26,27);3H,2H2,1H3
InChIKeyHEYGYHXPAOJNNI-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.55
Rot. Bonds7

About 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate

1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate (PubChem CID 143998256) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate
PubChem CID143998256
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate
SMILESCCOC=O.O=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O2.C3H6O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28;1-2-5-3-4/h2-3,6-13H,1,4-5,14-15H2,(H,26,27);3H,2H2,1H3
InChIKeyHEYGYHXPAOJNNI-UHFFFAOYSA-N
XLogP4.55
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-benzimidazol-2-yl-[4-[3-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214
1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 68608455
(3S)-1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidine-3-carbonitrile
CID 59351257
(2R)-1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-2-ethylpiperidine-3-carboxylic acid
CID 70893613
1H-benzimidazol-2-yl-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 59351138
1H-benzimidazol-2-yl-[4-[3-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 59351219
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 71080373
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
CID 59351234
1H-benzimidazol-2-yl-[4-[3-[1-[(E)-1-methoxybut-2-en-2-yl]piperidin-4-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 143998274
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326779
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate (CID 143998256) is 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate is CCOC=O.O=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate?
The InChIKey is HEYGYHXPAOJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C3H6O2/c29-20(21-26-18-6-2-3-7-19(18)27-21)16-8-10-17(11-9-16)30-23-22(24-12-13-25-23)28-14-4-1-5-15-28;1-2-5-3-4/h2-3,6-13H,1,4-5,14-15H2,(H,26,27);3H,2H2,1H3.
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate?
1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate has a molecular weight of 473.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-(3-piperidin-1-ylpyrazin-2-yl)oxyphenyl]methanone;ethyl formate is sourced from PubChem (CID 143998256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).