4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol

C163H191Cl3FN9O3 — CID 165059208

IUPAC4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cn2cccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C13H16.3C12H13Cl.C12H15N.C11H12FN.2C11H13NO.3C11H13N.C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3
InChIKeyQXSSIJROHVVCTQ-UHFFFAOYSA-N
MW2449.74 g/mol
LogP44.17
Rot. Bonds14

About 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol (PubChem CID 165059208) has the molecular formula C163H191Cl3FN9O3 and a molecular weight of 2449.74 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol
PubChem CID165059208
Molecular FormulaC163H191Cl3FN9O3
Molecular Weight2449.74 g/mol
Exact Mass2446.41
IUPAC Name4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cn2cccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C13H16.3C12H13Cl.C12H15N.C11H12FN.2C11H13NO.3C11H13N.C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3
InChIKeyQXSSIJROHVVCTQ-UHFFFAOYSA-N
XLogP44.17
TPSA164.48 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms179
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002449.74
LogP ≤ 544.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol (CID 165059208) is 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol is C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CCc2cc(Cl)ccc21.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)C1=CCc2cccc(Cl)c21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2cccn12.CC(C)c1cc(O)cn2cccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol?
The InChIKey is QXSSIJROHVVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16.3C12H13Cl.C12H15N.C11H12FN.2C11H13NO.3C11H13N.C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-5-3-9-7-10(13)4-6-12(9)11;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)10-7-6-9-4-3-5-11(13)12(9)10;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)10-6-9(13)7-12-5-3-4-11(10)12;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-8H,3H2,1-2H3;3,5-8H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-8,13H,1-3H3;3-7,13H,1-2H3;2*3-8,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol?
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol has a molecular weight of 2449.74 g/mol, XLogP of 44.17, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;2-methylidene-4-propan-2-yl-1,3-dihydroindene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol is sourced from PubChem (CID 165059208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).