1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole

C22H18N4 — CID 123623566

IUPAC1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
SMILESCc1c(-c2cccc(-c3nc4ccccc4n3C)n2)[nH]c2ccccc12
InChIInChI=1S/C22H18N4/c1-14-15-8-3-4-9-16(15)24-21(14)18-11-7-12-19(23-18)22-25-17-10-5-6-13-20(17)26(22)2/h3-13,24H,1-2H3
InChIKeyZDCDMKVNIWSNKW-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.09
Rot. Bonds2

About 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole

1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole (PubChem CID 123623566) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
PubChem CID123623566
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
SMILESCc1c(-c2cccc(-c3nc4ccccc4n3C)n2)[nH]c2ccccc12
InChIInChI=1S/C22H18N4/c1-14-15-8-3-4-9-16(15)24-21(14)18-11-7-12-19(23-18)22-25-17-10-5-6-13-20(17)26(22)2/h3-13,24H,1-2H3
InChIKeyZDCDMKVNIWSNKW-UHFFFAOYSA-N
XLogP5.09
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
CID 135414367
1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
CID 102444439
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
CID 51050722
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
CID 59010715
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1-methylbenzimidazole
CID 167412523

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole?
The IUPAC name of 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole (CID 123623566) is 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole is Cc1c(-c2cccc(-c3nc4ccccc4n3C)n2)[nH]c2ccccc12.
What is the InChIKey of 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole?
The InChIKey is ZDCDMKVNIWSNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-14-15-8-3-4-9-16(15)24-21(14)18-11-7-12-19(23-18)22-25-17-10-5-6-13-20(17)26(22)2/h3-13,24H,1-2H3.
What are the key properties of 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole?
1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole has a molecular weight of 338.41 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole is sourced from PubChem (CID 123623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).