6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole

C29H27N7 — CID 71516957

IUPAC6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole
SMILESCC1CN=C(c2ccc3nc(-c4ccc(-c5c[nH]c6cc(C7=NCC(C)N7)ccc56)cc4)[nH]c3c2)N1
InChIInChI=1S/C29H27N7/c1-16-13-31-27(33-16)20-7-9-22-23(15-30-25(22)11-20)18-3-5-19(6-4-18)29-35-24-10-8-21(12-26(24)36-29)28-32-14-17(2)34-28/h3-12,15-17,30H,13-14H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)
InChIKeyUOABQTJSLGOQGI-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.85
Rot. Bonds4

About 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole

6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole (PubChem CID 71516957) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole
PubChem CID71516957
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole
SMILESCC1CN=C(c2ccc3nc(-c4ccc(-c5c[nH]c6cc(C7=NCC(C)N7)ccc56)cc4)[nH]c3c2)N1
InChIInChI=1S/C29H27N7/c1-16-13-31-27(33-16)20-7-9-22-23(15-30-25(22)11-20)18-3-5-19(6-4-18)29-35-24-10-8-21(12-26(24)36-29)28-32-14-17(2)34-28/h3-12,15-17,30H,13-14H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)
InChIKeyUOABQTJSLGOQGI-UHFFFAOYSA-N
XLogP4.85
TPSA93.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole with MolForge

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Related Compounds

acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
CID 71516870
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-indol-3-amine;hydrochloride
CID 54599643
6-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-2-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 139726173
4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine;hydrochloride
CID 164713900
6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12041811
4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
CID 138649696
1-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperidin-4-amine
CID 58165821
6-bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
CID 164792824
2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10048048
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CID 145044312

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole?
The IUPAC name of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole (CID 71516957) is 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole is CC1CN=C(c2ccc3nc(-c4ccc(-c5c[nH]c6cc(C7=NCC(C)N7)ccc56)cc4)[nH]c3c2)N1.
What is the InChIKey of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole?
The InChIKey is UOABQTJSLGOQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-16-13-31-27(33-16)20-7-9-22-23(15-30-25(22)11-20)18-3-5-19(6-4-18)29-35-24-10-8-21(12-26(24)36-29)28-32-14-17(2)34-28/h3-12,15-17,30H,13-14H2,1-2H3,(H,31,33)(H,32,34)(H,35,36).
What are the key properties of 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole?
6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole has a molecular weight of 473.58 g/mol, XLogP of 4.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 71516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).