tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate

C24H27N5O3 — CID 118364373

IUPACtert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc2ncn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H27N5O3/c1-16(2)29-20(10-12-27-29)22-17(7-6-11-25-22)14-31-18-8-9-19-21(13-18)28(15-26-19)23(30)32-24(3,4)5/h6-13,15-16H,14H2,1-5H3
InChIKeyIBBNEEXBNWTILN-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.24
Rot. Bonds5

About tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate

tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate (PubChem CID 118364373) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate
PubChem CID118364373
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nametert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate
SMILESCC(C)n1nccc1-c1ncccc1COc1ccc2ncn(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H27N5O3/c1-16(2)29-20(10-12-27-29)22-17(7-6-11-25-22)14-31-18-8-9-19-21(13-18)28(15-26-19)23(30)32-24(3,4)5/h6-13,15-16H,14H2,1-5H3
InChIKeyIBBNEEXBNWTILN-UHFFFAOYSA-N
XLogP5.24
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362
2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzamide
CID 130308299
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
tert-butyl 6-methylbenzimidazole-1-carboxylate
CID 59283343
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471436
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
tert-butyl 5-formylbenzimidazole-1-carboxylate;tert-butyl 6-formylbenzimidazole-1-carboxylate
CID 161032302
[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol
CID 123621233

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate (CID 118364373) is tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate is CC(C)n1nccc1-c1ncccc1COc1ccc2ncn(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate?
The InChIKey is IBBNEEXBNWTILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16(2)29-20(10-12-27-29)22-17(7-6-11-25-22)14-31-18-8-9-19-21(13-18)28(15-26-19)23(30)32-24(3,4)5/h6-13,15-16H,14H2,1-5H3.
What are the key properties of tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate?
tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzimidazole-1-carboxylate is sourced from PubChem (CID 118364373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).