1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C107H141N11O2 — CID 159044177

About 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 159044177) has the molecular formula C107H141N11O2 and a molecular weight of 1613.38 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• PubChem CID: 159044177
• Molecular Formula: C107H141N11O2
• Molecular Weight: 1613.38 g/mol
• Exact Mass: 1612.13
• IUPAC Name: 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
• SMILES: C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccc2c(c1)ncn2C1CC1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cnn2c1CCC2
• InChI: InChI=1S/C13H16N2.2C13H17N.C12H17NO.3C12H15N.C11H15NO.C9H14N2/c1-9(2)10-3-6-13-12(7-10)14-8-15(13)11-4-5-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-6-10-11-5-3-4-9(8)11/h3,6-9,11H,4-5H2,1-2H3;2*6-9,14H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;2*4-9H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;6-7H,3-5H2,1-2H3
• InChIKey: JWLFVXCTDKRJLI-UHFFFAOYSA-N
• XLogP: 27.96
• TPSA: 115.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.38
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The IUPAC name of 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 159044177) is 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The canonical SMILES for 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.CC(C)c1cc2ccccc2n1C.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccc2c(c1)ncn2C1CC1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cnn2c1CCC2.

What is the InChIKey of 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

The InChIKey is JWLFVXCTDKRJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.2C13H17N.C12H17NO.3C12H15N.C11H15NO.C9H14N2/c1-9(2)10-3-6-13-12(7-10)14-8-15(13)11-4-5-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-6-10-11-5-3-4-9(8)11/h3,6-9,11H,4-5H2,1-2H3;2*6-9,14H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;2*4-9H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;6-7H,3-5H2,1-2H3.

What are the key properties of 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?

1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 1613.38 g/mol, XLogP of 27.96, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 159044177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).