1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide

C28H32N6O3 — CID 68816470

IUPAC1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide
SMILESCCc1nccc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)N(C(C)=O)CC4)n3C)c1CC.NC=O
InChIInChI=1S/C27H29N5O2.CH3NO/c1-5-21-22(6-2)28-13-11-26(21)34-20-9-10-24-23(16-20)30-27(31(24)4)29-19-8-7-18-12-14-32(17(3)33)25(18)15-19;2-1-3/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,29,30);1H,(H2,2,3)
InChIKeySKYZMVIPEQOLPC-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.64
Rot. Bonds6

About 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide

1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide (PubChem CID 68816470) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide.

Molecular Properties

Compound Name1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide
PubChem CID68816470
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide
SMILESCCc1nccc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)N(C(C)=O)CC4)n3C)c1CC.NC=O
InChIInChI=1S/C27H29N5O2.CH3NO/c1-5-21-22(6-2)28-13-11-26(21)34-20-9-10-24-23(16-20)30-27(31(24)4)29-19-8-7-18-12-14-32(17(3)33)25(18)15-19;2-1-3/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,29,30);1H,(H2,2,3)
InChIKeySKYZMVIPEQOLPC-UHFFFAOYSA-N
XLogP4.64
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide?
The IUPAC name of 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide (CID 68816470) is 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide.
What is the SMILES notation for 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide?
The canonical SMILES for 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide is CCc1nccc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)N(C(C)=O)CC4)n3C)c1CC.NC=O.
What is the InChIKey of 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide?
The InChIKey is SKYZMVIPEQOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.CH3NO/c1-5-21-22(6-2)28-13-11-26(21)34-20-9-10-24-23(16-20)30-27(31(24)4)29-19-8-7-18-12-14-32(17(3)33)25(18)15-19;2-1-3/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H,29,30);1H,(H2,2,3).
What are the key properties of 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide?
1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide has a molecular weight of 500.60 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-[(2,3-diethyl-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone;formamide is sourced from PubChem (CID 68816470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).