2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene

C102H119N9O2S — CID 159169681

About 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene

2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene (PubChem CID 159169681) has the molecular formula C102H119N9O2S and a molecular weight of 1535.20 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
• PubChem CID: 159169681
• Molecular Formula: C102H119N9O2S
• Molecular Weight: 1535.20 g/mol
• Exact Mass: 1533.92
• IUPAC Name: 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
• SMILES: CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2ccccc12.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12
• InChI: InChI=1S/C13H14.3C12H13N.2C11H12N2.C10H12N2.2C7H10O.C7H10S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;3*3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-6H,1-2H3
• InChIKey: KLNFLAXZBFKXIJ-UHFFFAOYSA-N
• XLogP: 29.91
• TPSA: 145.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.20
LogP ≤ 5	29.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?

The IUPAC name of 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene (CID 159169681) is 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene.

What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?

The canonical SMILES for 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene is CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2ccccc12.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2ccccc12.

What is the InChIKey of 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?

The InChIKey is KLNFLAXZBFKXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.3C12H13N.2C11H12N2.C10H12N2.2C7H10O.C7H10S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h3-10H,1-2H3;3*3-9H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-6H,1-2H3.

What are the key properties of 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?

2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene has a molecular weight of 1535.20 g/mol, XLogP of 29.91, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene is sourced from PubChem (CID 159169681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).