(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

C25H23N3O3 — CID 59326816

IUPAC(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C25H23N3O3/c1-28-22-7-3-2-6-21(22)27-24(28)23(29)18-8-10-19(11-9-18)31-25-20(5-4-14-26-25)17-12-15-30-16-13-17/h2-11,14,17H,12-13,15-16H2,1H3
InChIKeyHZXVWJIMVWUESM-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.89
Rot. Bonds5

About (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326816) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326816
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2ccccc21
InChIInChI=1S/C25H23N3O3/c1-28-22-7-3-2-6-21(22)27-24(28)23(29)18-8-10-19(11-9-18)31-25-20(5-4-14-26-25)17-12-15-30-16-13-17/h2-11,14,17H,12-13,15-16H2,1H3
InChIKeyHZXVWJIMVWUESM-UHFFFAOYSA-N
XLogP4.89
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone with MolForge

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Related Compounds

1-[3-[2-[4-(1,3-benzothiazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 89459508
1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
CID 140572015
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600
1,3-benzothiazol-2-yl-[4-[[3-[(3R)-3-hydroxy-3-methylcyclohexyl]-2-pyridinyl]oxy]phenyl]methanone
CID 59327132
dicesium;1H-benzimidazol-2-yl-[4-[[3-[(1S,3S)-3-hydroxy-3-(trifluoromethyl)cyclopentyl]-2-pyridinyl]oxy]phenyl]methanone;carbonate
CID 162113817
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
1-ethoxy-N-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]benzimidazol-2-amine
CID 66986367
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
CID 58548534
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
4-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]cyclohexan-1-one
CID 59326966
1H-benzimidazol-2-yl-[4-[3-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326816) is (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is Cn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is HZXVWJIMVWUESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-28-22-7-3-2-6-21(22)27-24(28)23(29)18-8-10-19(11-9-18)31-25-20(5-4-14-26-25)17-12-15-30-16-13-17/h2-11,14,17H,12-13,15-16H2,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 413.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).