1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole

C29H26N6 — CID 86176828

IUPAC1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)nc1
InChIInChI=1S/C29H26N6/c1-18-5-9-22(30-16-18)28-32-24-14-20(7-11-26(24)34(28)3)13-21-8-12-27-25(15-21)33-29(35(27)4)23-10-6-19(2)17-31-23/h5-12,14-17H,13H2,1-4H3
InChIKeyRYYAPMZHOUORLW-UHFFFAOYSA-N
MW458.57 g/mol
LogP5.79
Rot. Bonds4

About 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole

1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole (PubChem CID 86176828) has the molecular formula C29H26N6 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole
PubChem CID86176828
Molecular FormulaC29H26N6
Molecular Weight458.57 g/mol
Exact Mass458.22
IUPAC Name1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)nc1
InChIInChI=1S/C29H26N6/c1-18-5-9-22(30-16-18)28-32-24-14-20(7-11-26(24)34(28)3)13-21-8-12-27-25(15-21)33-29(35(27)4)23-10-6-19(2)17-31-23/h5-12,14-17H,13H2,1-4H3
InChIKeyRYYAPMZHOUORLW-UHFFFAOYSA-N
XLogP5.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
CID 81098767
tetrakis(acetonitrile);chromium(3+);tris(N,N-diethyl-6-[1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]benzimidazol-2-yl]pyridine-2-carboxamide);hexakis(trifluoromethanesulfonate);ytterbium(3+)
CID 139119875
2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide
CID 22125551
1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
CID 154743164
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
CID 47273036
1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
CID 59674118
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole?
The IUPAC name of 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole (CID 86176828) is 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole?
The canonical SMILES for 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole is Cc1ccc(-c2nc3cc(Cc4ccc5c(c4)nc(-c4ccc(C)cn4)n5C)ccc3n2C)nc1.
What is the InChIKey of 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole?
The InChIKey is RYYAPMZHOUORLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6/c1-18-5-9-22(30-16-18)28-32-24-14-20(7-11-26(24)34(28)3)13-21-8-12-27-25(15-21)33-29(35(27)4)23-10-6-19(2)17-31-23/h5-12,14-17H,13H2,1-4H3.
What are the key properties of 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole?
1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole has a molecular weight of 458.57 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 86176828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).