N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

C78H106F6N10OS — CID 158593998

About N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline

N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (PubChem CID 158593998) has the molecular formula C78H106F6N10OS and a molecular weight of 1345.83 g/mol. Its IUPAC name is N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.

Molecular Properties

• Compound Name: N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
• PubChem CID: 158593998
• Molecular Formula: C78H106F6N10OS
• Molecular Weight: 1345.83 g/mol
• Exact Mass: 1344.82
• IUPAC Name: N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
• SMILES: CC(C)c1ccc2c(c1)CCN(C)C2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2C.CC(C)c1ccc2nc(N(C)C)[nH]c2c1.CC(C)c1ccc2nc(N(C)C)oc2c1.CC(C)c1ccc2nc(N(C)C)sc2c1
• InChI: InChI=1S/C15H20F3N.C14H18F3N.C13H19N.C12H17N3.C12H16N2O.C12H16N2S/c1-10(2)11-5-6-13-12(9-11)7-8-19(4)14(13,3)15(16,17)18;1-9(2)10-4-5-12-11(8-10)6-7-18-13(12,3)14(15,16)17;1-9(2)11-4-5-13-10(3)14-7-6-12(13)8-11;1-8(2)9-5-6-10-11(7-9)14-12(13-10)15(3)4;2*1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4/h5-6,9-10H,7-8H2,1-4H3;4-5,8-9,18H,6-7H2,1-3H3;4-5,8-10,14H,6-7H2,1-3H3;5-8H,1-4H3,(H,13,14);2*5-8H,1-4H3
• InChIKey: HUUFUIFASUKNNO-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 104.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.83
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?

The IUPAC name of N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline (CID 158593998) is N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline.

What is the SMILES notation for N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?

The canonical SMILES for N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is CC(C)c1ccc2c(c1)CCN(C)C2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2(C)C(F)(F)F.CC(C)c1ccc2c(c1)CCNC2C.CC(C)c1ccc2nc(N(C)C)[nH]c2c1.CC(C)c1ccc2nc(N(C)C)oc2c1.CC(C)c1ccc2nc(N(C)C)sc2c1.

What is the InChIKey of N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?

The InChIKey is HUUFUIFASUKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N.C14H18F3N.C13H19N.C12H17N3.C12H16N2O.C12H16N2S/c1-10(2)11-5-6-13-12(9-11)7-8-19(4)14(13,3)15(16,17)18;1-9(2)10-4-5-12-11(8-10)6-7-18-13(12,3)14(15,16)17;1-9(2)11-4-5-13-10(3)14-7-6-12(13)8-11;1-8(2)9-5-6-10-11(7-9)14-12(13-10)15(3)4;2*1-8(2)9-5-6-10-11(7-9)15-12(13-10)14(3)4/h5-6,9-10H,7-8H2,1-4H3;4-5,8-9,18H,6-7H2,1-3H3;4-5,8-10,14H,6-7H2,1-3H3;5-8H,1-4H3,(H,13,14);2*5-8H,1-4H3.

What are the key properties of N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline?

N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline has a molecular weight of 1345.83 g/mol, XLogP of 20.08, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 158593998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).