1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone

C24H23N5O3 — CID 71080373

IUPAC1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2C2CCCN(O)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N5O3/c30-22(23-27-19-5-1-2-6-20(19)28-23)17-7-9-18(10-8-17)32-24-21(25-12-13-26-24)16-4-3-14-29(31)15-11-16/h1-2,5-10,12-13,16,31H,3-4,11,14-15H2,(H,27,28)
InChIKeyMHLGLFXDGXRJTF-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.33
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 71080373) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
PubChem CID71080373
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2C2CCCN(O)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N5O3/c30-22(23-27-19-5-1-2-6-20(19)28-23)17-7-9-18(10-8-17)32-24-21(25-12-13-26-24)16-4-3-14-29(31)15-11-16/h1-2,5-10,12-13,16,31H,3-4,11,14-15H2,(H,27,28)
InChIKeyMHLGLFXDGXRJTF-UHFFFAOYSA-N
XLogP4.33
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1H-benzimidazol-2-yl-[4-[3-[1-[(E)-1-methoxybut-2-en-2-yl]piperidin-4-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 143998274
(3S)-1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidine-3-carbonitrile
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1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 68608455
(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-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214
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
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
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-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 91084844
N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone (CID 71080373) is 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2C2CCCN(O)CC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is MHLGLFXDGXRJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-22(23-27-19-5-1-2-6-20(19)28-23)17-7-9-18(10-8-17)32-24-21(25-12-13-26-24)16-4-3-14-29(31)15-11-16/h1-2,5-10,12-13,16,31H,3-4,11,14-15H2,(H,27,28).
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 429.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 71080373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).