5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene

C125H125Cl4FN14O2S4 — CID 157451094

About 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene

5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene (PubChem CID 157451094) has the molecular formula C125H125Cl4FN14O2S4 and a molecular weight of 2144.55 g/mol. Its IUPAC name is 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene
• PubChem CID: 157451094
• Molecular Formula: C125H125Cl4FN14O2S4
• Molecular Weight: 2144.55 g/mol
• Exact Mass: 2140.77
• IUPAC Name: 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene
• SMILES: Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc(Cl)s1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2n1.Cc1cccs1.Cc1ccsc1.Cc1csc(Cl)c1.[H]/N=C(\N)c1cccc(C)c1
• InChI: InChI=1S/C12H9N.C11H9Cl.C11H9F.C9H8ClN.2C9H10N2O.C9H12N2.C9H8N2.2C9H9N.C8H10N2.2C5H5ClS.2C5H6S/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-2-4-7(5-6)8(9)10;1-4-2-5(6)7-3-4;1-4-2-3-5(6)7-4;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2-7H,1H3;2*2-7H,1H3;2-5,11H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2*2-6,10H,1H3;2-5H,1H3,(H3,9,10);2*2-3H,1H3;2*2-4H,1H3
• InChIKey: BSUURKASXSXJCJ-UHFFFAOYSA-N
• XLogP: 34.98
• TPSA: 266.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 1
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.55
LogP ≤ 5	34.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene?

The IUPAC name of 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene (CID 157451094) is 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene?

The canonical SMILES for 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene is Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc(Cl)s1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2n1.Cc1cccs1.Cc1ccsc1.Cc1csc(Cl)c1.[H]/N=C(\N)c1cccc(C)c1.

What is the InChIKey of 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene?

The InChIKey is BSUURKASXSXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C11H9Cl.C11H9F.C9H8ClN.2C9H10N2O.C9H12N2.C9H8N2.2C9H9N.C8H10N2.2C5H5ClS.2C5H6S/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-3-2-4-7(5-6)8(9)10;1-4-2-5(6)7-3-4;1-4-2-3-5(6)7-4;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2-7H,1H3;2*2-7H,1H3;2-5,11H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2*2-6,10H,1H3;2-5H,1H3,(H3,9,10);2*2-3H,1H3;2*2-4H,1H3.

What are the key properties of 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene?

5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene has a molecular weight of 2144.55 g/mol, XLogP of 34.98, 1 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-4-methylthiophene;2-chloro-5-methylthiophene;2-fluoro-3-methylnaphthalene;3-methylbenzenecarboximidamide;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-1H-indole;6-methyl-1H-indole;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 157451094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).