1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole

C27H21N5 — CID 15804948

IUPAC1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
SMILESCn1c(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4n3C)n2)nc2ccccc21
InChIInChI=1S/C27H21N5/c1-31-24-14-8-6-12-20(24)29-26(31)22-16-19(18-10-4-3-5-11-18)17-23(28-22)27-30-21-13-7-9-15-25(21)32(27)2/h3-17H,1-2H3
InChIKeyKJKHLXGSSCECER-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.86
Rot. Bonds3

About 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole

1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole (PubChem CID 15804948) has the molecular formula C27H21N5 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
PubChem CID15804948
Molecular FormulaC27H21N5
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Name1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
SMILESCn1c(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4n3C)n2)nc2ccccc21
InChIInChI=1S/C27H21N5/c1-31-24-14-8-6-12-20(24)29-26(31)22-16-19(18-10-4-3-5-11-18)17-23(28-22)27-30-21-13-7-9-15-25(21)32(27)2/h3-17H,1-2H3
InChIKeyKJKHLXGSSCECER-UHFFFAOYSA-N
XLogP5.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(1-methylbenzimidazol-2-yl)-4-phenylquinoline
CID 100818108
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
[4-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]phenyl]boronic acid
CID 102488637
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
2-[6-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]-1-methylbenzimidazole
CID 165150740
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole?
The IUPAC name of 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole (CID 15804948) is 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole is Cn1c(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4n3C)n2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole?
The InChIKey is KJKHLXGSSCECER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5/c1-31-24-14-8-6-12-20(24)29-26(31)22-16-19(18-10-4-3-5-11-18)17-23(28-22)27-30-21-13-7-9-15-25(21)32(27)2/h3-17H,1-2H3.
What are the key properties of 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole?
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole has a molecular weight of 415.50 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole is sourced from PubChem (CID 15804948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).