6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C106H137N15O3 — CID 157452324

IUPAC6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)OCCN2
InChIInChI=1S/C12H17N.C12H13N.C11H15NO.2C11H15N.C10H14N2O.2C10H12N2.C10H13NO.C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-5-11-12-9(8)10-4-7/h5-6,8-9,13H,3-4,7H2,1-2H3;3-9H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-4,7-8,12H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12)
InChIKeyBSYDJJQALFIRMK-UHFFFAOYSA-N
MW1669.36 g/mol
LogP26.73
Rot. Bonds10

About 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 157452324) has the molecular formula C106H137N15O3 and a molecular weight of 1669.36 g/mol. Its IUPAC name is 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID157452324
Molecular FormulaC106H137N15O3
Molecular Weight1669.36 g/mol
Exact Mass1668.10
IUPAC Name6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)OCCN2
InChIInChI=1S/C12H17N.C12H13N.C11H15NO.2C11H15N.C10H14N2O.2C10H12N2.C10H13NO.C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-5-11-12-9(8)10-4-7/h5-6,8-9,13H,3-4,7H2,1-2H3;3-9H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-4,7-8,12H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12)
InChIKeyBSYDJJQALFIRMK-UHFFFAOYSA-N
XLogP26.73
TPSA224.58 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001669.36
LogP ≤ 526.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240150366, Example 15
CID 164875474
US20240150366, Example 18
CID 164875476
US20240150366, Example 13
CID 164875478
US20240150366, Example 16
CID 164875480
US20240150366, Example 14
CID 164875484
US20240150366, Example 19
CID 164875486
US20240150366, Example 3
CID 164875488
US20240150366, Example 9
CID 164875490
US20240150366, Example 22
CID 164875496
US20240150366, Example 11
CID 171918778
US20240150366, Example 20
CID 171918780
2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 157452324) is 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCN2.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)OCCN2.
What is the InChIKey of 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BSYDJJQALFIRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H13N.C11H15NO.2C11H15N.C10H14N2O.2C10H12N2.C10H13NO.C9H11N3/c2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-5-11-12-9(8)10-4-7/h5-6,8-9,13H,3-4,7H2,1-2H3;3-9H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-4,7-8,12H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3,(H,11,12);2*3-7H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;3-6H,1-2H3,(H,10,11,12).
What are the key properties of 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1669.36 g/mol, XLogP of 26.73, 10 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157452324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).