4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone

C141H193N29O5 — CID 157073983

IUPAC4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)(C)c1ccc2ncn(C3CCC3)c2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCOCC3)c2n1.CN1CCC(n2cnc3ccc(C(C)(C)C)cc32)CC1.CNC(=O)Cn1ccc2cnc(C(C)(C)C)nc21.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)nc21
InChIInChI=1S/C17H24N4O.C17H25N3.C16H22N4O2.C16H22N4O.C15H20N2.C13H18N4O.C13H17N.C12H16N2.C11H15N3.C11H14N2/c1-17(2,3)16-18-11-13-7-10-21(15(13)19-16)12-14(22)20-8-5-4-6-9-20;1-17(2,3)13-5-6-15-16(11-13)20(12-18-15)14-7-9-19(4)10-8-14;1-16(2,3)15-17-10-12-4-5-20(14(12)18-15)11-13(21)19-6-8-22-9-7-19;1-16(2,3)15-17-10-12-6-9-20(14(12)18-15)11-13(21)19-7-4-5-8-19;1-15(2,3)11-7-8-13-14(9-11)17(10-16-13)12-5-4-6-12;1-13(2,3)12-15-7-9-5-6-17(11(9)16-12)8-10(18)14-4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-11(2,3)9-6-5-8-10(13-9)14(4)7-12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h7,10-11H,4-6,8-9,12H2,1-3H3;5-6,11-12,14H,7-10H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;6,9-10H,4-5,7-8,11H2,1-3H3;7-10,12H,4-6H2,1-3H3;5-7H,8H2,1-4H3,(H,14,18);5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13)
InChIKeyACTGPDJWOURIFV-UHFFFAOYSA-N
MW2374.29 g/mol
LogP27.29
Rot. Bonds10

About 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone

4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 157073983) has the molecular formula C141H193N29O5 and a molecular weight of 2374.29 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
PubChem CID157073983
Molecular FormulaC141H193N29O5
Molecular Weight2374.29 g/mol
Exact Mass2372.57
IUPAC Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)(C)c1ccc2ncn(C3CCC3)c2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCOCC3)c2n1.CN1CCC(n2cnc3ccc(C(C)(C)C)cc32)CC1.CNC(=O)Cn1ccc2cnc(C(C)(C)C)nc21.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)nc21
InChIInChI=1S/C17H24N4O.C17H25N3.C16H22N4O2.C16H22N4O.C15H20N2.C13H18N4O.C13H17N.C12H16N2.C11H15N3.C11H14N2/c1-17(2,3)16-18-11-13-7-10-21(15(13)19-16)12-14(22)20-8-5-4-6-9-20;1-17(2,3)13-5-6-15-16(11-13)20(12-18-15)14-7-9-19(4)10-8-14;1-16(2,3)15-17-10-12-4-5-20(14(12)18-15)11-13(21)19-6-8-22-9-7-19;1-16(2,3)15-17-10-12-6-9-20(14(12)18-15)11-13(21)19-7-4-5-8-19;1-15(2,3)11-7-8-13-14(9-11)17(10-16-13)12-5-4-6-12;1-13(2,3)12-15-7-9-5-6-17(11(9)16-12)8-10(18)14-4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-11(2,3)9-6-5-8-10(13-9)14(4)7-12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h7,10-11H,4-6,8-9,12H2,1-3H3;5-6,11-12,14H,7-10H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;6,9-10H,4-5,7-8,11H2,1-3H3;7-10,12H,4-6H2,1-3H3;5-7H,8H2,1-4H3,(H,14,18);5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13)
InChIKeyACTGPDJWOURIFV-UHFFFAOYSA-N
XLogP27.29
TPSA343.12 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds10
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.29
LogP ≤ 527.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone (CID 157073983) is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone is CC(C)(C)c1ccc2ncn(C3CCC3)c2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCCCC3)c2n1.CC(C)(C)c1ncc2ccn(CC(=O)N3CCOCC3)c2n1.CN1CCC(n2cnc3ccc(C(C)(C)C)cc32)CC1.CNC(=O)Cn1ccc2cnc(C(C)(C)C)nc21.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)nc21.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is ACTGPDJWOURIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.C17H25N3.C16H22N4O2.C16H22N4O.C15H20N2.C13H18N4O.C13H17N.C12H16N2.C11H15N3.C11H14N2/c1-17(2,3)16-18-11-13-7-10-21(15(13)19-16)12-14(22)20-8-5-4-6-9-20;1-17(2,3)13-5-6-15-16(11-13)20(12-18-15)14-7-9-19(4)10-8-14;1-16(2,3)15-17-10-12-4-5-20(14(12)18-15)11-13(21)19-6-8-22-9-7-19;1-16(2,3)15-17-10-12-6-9-20(14(12)18-15)11-13(21)19-7-4-5-8-19;1-15(2,3)11-7-8-13-14(9-11)17(10-16-13)12-5-4-6-12;1-13(2,3)12-15-7-9-5-6-17(11(9)16-12)8-10(18)14-4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;1-11(2,3)9-6-5-8-10(13-9)14(4)7-12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h7,10-11H,4-6,8-9,12H2,1-3H3;5-6,11-12,14H,7-10H2,1-4H3;4-5,10H,6-9,11H2,1-3H3;6,9-10H,4-5,7-8,11H2,1-3H3;7-10,12H,4-6H2,1-3H3;5-7H,8H2,1-4H3,(H,14,18);5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 2374.29 g/mol, XLogP of 27.29, 10 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1-cyclobutylbenzimidazole;5-tert-butyl-3-methylimidazo[4,5-b]pyridine;6-tert-butyl-2-methylindazole;6-tert-butyl-1-methylindole;6-tert-butyl-1-(1-methylpiperidin-4-yl)benzimidazole;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-N-methylacetamide;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-morpholin-4-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-piperidin-1-ylethanone;2-(2-tert-butylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 157073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).