5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole

C99H125N13S2 — CID 159103121

IUPAC5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole
SMILESCC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1.CC(C)c1nc2c([nH]1)CCc1cc(C(C)C)sc1-2.CC(C)c1nc2c(ccc3cc(C(C)C)sc32)[nH]1.CC(C)c1nc2ccc3cc(C(C)C)[nH]cc3c2n1
InChIInChI=1S/C19H26N2.C17H22N2.C17H20N2.C16H19N3.C15H20N2S.C15H18N2S/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)14-7-11-5-6-13-15(12(11)8-17-14)19-16(18-13)10(3)4;2*1-8(2)12-7-10-5-6-11-13(14(10)18-12)17-15(16-11)9(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-10,17H,1-4H3;7-9H,5-6H2,1-4H3,(H,16,17);5-9H,1-4H3,(H,16,17)
InChIKeySXWVQAZVADUTDN-UHFFFAOYSA-N
MW1561.31 g/mol
LogP28.41
Rot. Bonds12

About 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole

5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole (PubChem CID 159103121) has the molecular formula C99H125N13S2 and a molecular weight of 1561.31 g/mol. Its IUPAC name is 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole.

Molecular Properties

Compound Name5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole
PubChem CID159103121
Molecular FormulaC99H125N13S2
Molecular Weight1561.31 g/mol
Exact Mass1559.96
IUPAC Name5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole
SMILESCC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1.CC(C)c1nc2c([nH]1)CCc1cc(C(C)C)sc1-2.CC(C)c1nc2c(ccc3cc(C(C)C)sc32)[nH]1.CC(C)c1nc2ccc3cc(C(C)C)[nH]cc3c2n1
InChIInChI=1S/C19H26N2.C17H22N2.C17H20N2.C16H19N3.C15H20N2S.C15H18N2S/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)14-7-11-5-6-13-15(12(11)8-17-14)19-16(18-13)10(3)4;2*1-8(2)12-7-10-5-6-11-13(14(10)18-12)17-15(16-11)9(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-10,17H,1-4H3;7-9H,5-6H2,1-4H3,(H,16,17);5-9H,1-4H3,(H,16,17)
InChIKeySXWVQAZVADUTDN-UHFFFAOYSA-N
XLogP28.41
TPSA184.97 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.31
LogP ≤ 528.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole?
The IUPAC name of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole (CID 159103121) is 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole.
What is the SMILES notation for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole?
The canonical SMILES for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole is CC(C)c1ccc2c(c1)C(C)(C)Cc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2.CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1.CC(C)c1nc2c([nH]1)CCc1cc(C(C)C)sc1-2.CC(C)c1nc2c(ccc3cc(C(C)C)sc32)[nH]1.CC(C)c1nc2ccc3cc(C(C)C)[nH]cc3c2n1.
What is the InChIKey of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole?
The InChIKey is SXWVQAZVADUTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.C17H22N2.C17H20N2.C16H19N3.C15H20N2S.C15H18N2S/c1-11(2)13-7-8-14-15(9-13)19(5,6)10-16-17(14)21-18(20-16)12(3)4;2*1-10(2)12-5-7-14-13(9-12)6-8-15-16(14)19-17(18-15)11(3)4;1-9(2)14-7-11-5-6-13-15(12(11)8-17-14)19-16(18-13)10(3)4;2*1-8(2)12-7-10-5-6-11-13(14(10)18-12)17-15(16-11)9(3)4/h7-9,11-12H,10H2,1-6H3,(H,20,21);5,7,9-11H,6,8H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,18,19);5-10,17H,1-4H3;7-9H,5-6H2,1-4H3,(H,16,17);5-9H,1-4H3,(H,16,17).
What are the key properties of 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole?
5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole has a molecular weight of 1561.31 g/mol, XLogP of 28.41, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,7-di(propan-2-yl)-3,4-dihydrobenzo[e]benzimidazole;2,7-di(propan-2-yl)-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-benzo[e]benzimidazole;2,7-di(propan-2-yl)-4,5-dihydro-3H-thieno[2,3-e]benzimidazole;2,7-di(propan-2-yl)-8H-imidazo[4,5-h]isoquinoline;2,7-di(propan-2-yl)-3H-thieno[2,3-e]benzimidazole is sourced from PubChem (CID 159103121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).