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

C29H30N6 — CID 147644608

IUPAC4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
SMILESCc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C29H30N6/c1-13-8-20(27-24(15(13)3)30-10-33-27)23(21-9-14(2)16(4)25-28(21)34-11-31-25)22-18(6)17(5)19(7)26-29(22)35-12-32-26/h8-9,23H,10-12H2,1-7H3
InChIKeyJFCVUTUPIPVUSF-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.66
Rot. Bonds3

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

4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole (PubChem CID 147644608) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
PubChem CID147644608
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC Name4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
SMILESCc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C29H30N6/c1-13-8-20(27-24(15(13)3)30-10-33-27)23(21-9-14(2)16(4)25-28(21)34-11-31-25)22-18(6)17(5)19(7)26-29(22)35-12-32-26/h8-9,23H,10-12H2,1-7H3
InChIKeyJFCVUTUPIPVUSF-UHFFFAOYSA-N
XLogP1.66
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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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-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 59380760
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
N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide
CID 145017010
4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole
CID 149228042

Frequently Asked Questions

What is the IUPAC name of 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole?
The IUPAC name of 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole (CID 147644608) is 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole.
What is the SMILES notation for 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole?
The canonical SMILES for 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole is Cc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.
What is the InChIKey of 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole?
The InChIKey is JFCVUTUPIPVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-13-8-20(27-24(15(13)3)30-10-33-27)23(21-9-14(2)16(4)25-28(21)34-11-31-25)22-18(6)17(5)19(7)26-29(22)35-12-32-26/h8-9,23H,10-12H2,1-7H3.
What are the key properties of 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole?
4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole has a molecular weight of 462.60 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole is sourced from PubChem (CID 147644608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).