4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole

C32H36N6 — CID 149451816

IUPAC4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole
SMILESCc1cc(CC(Cc2cc(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C32H36N6/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29/h8-9,23H,10-15H2,1-7H3
InChIKeyOXFIGYVDAVYHFW-UHFFFAOYSA-N
MW504.68 g/mol
LogP2.12
Rot. Bonds6

About 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole

4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole (PubChem CID 149451816) has the molecular formula C32H36N6 and a molecular weight of 504.68 g/mol. Its IUPAC name is 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole
PubChem CID149451816
Molecular FormulaC32H36N6
Molecular Weight504.68 g/mol
Exact Mass504.30
IUPAC Name4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole
SMILESCc1cc(CC(Cc2cc(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C32H36N6/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29/h8-9,23H,10-15H2,1-7H3
InChIKeyOXFIGYVDAVYHFW-UHFFFAOYSA-N
XLogP2.12
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole with MolForge

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Related Compounds

4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
CID 58019390
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
5,10-Di(propan-2-yl)-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 121465799
4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 147644607
4-[3-(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)-2-[(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 149451815
4-[2-[(5,6-dimethyl-2H-benzimidazol-4-yl)methyl]-3-(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)propyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;pentakis(yttrium)
CID 161236021
4-[2,3-bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)propyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 162069232
4-[3-(6,7-Dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)-2-[(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]propyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;hexakis(yttrium)
CID 167689906
4-[Bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;hexakis(yttrium)
CID 167696039
4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
CID 147644608
4-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,7-dimethyl-2H-benzimidazole
CID 149453999
5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole
CID 153129262

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole?
The IUPAC name of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole (CID 149451816) is 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole.
What is the SMILES notation for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole?
The canonical SMILES for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole is Cc1cc(CC(Cc2cc(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.
What is the InChIKey of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole?
The InChIKey is OXFIGYVDAVYHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29/h8-9,23H,10-15H2,1-7H3.
What are the key properties of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole?
4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole has a molecular weight of 504.68 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole is sourced from PubChem (CID 149451816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).