5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline

C25H19N7 — CID 134372991

IUPAC5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
SMILESCc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(-c5ccncc5)cc43)c12
InChIInChI=1S/C25H19N7/c1-15-4-3-5-20-23(15)21(8-11-27-20)32-16(2)30-24-19(25-28-14-29-31-25)12-18(13-22(24)32)17-6-9-26-10-7-17/h3-14H,1-2H3,(H,28,29,31)
InChIKeyOKOCRMAJJWTRKB-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.04
Rot. Bonds3

About 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline

5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline (PubChem CID 134372991) has the molecular formula C25H19N7 and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline.

Molecular Properties

Compound Name5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
PubChem CID134372991
Molecular FormulaC25H19N7
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
SMILESCc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(-c5ccncc5)cc43)c12
InChIInChI=1S/C25H19N7/c1-15-4-3-5-20-23(15)21(8-11-27-20)32-16(2)30-24-19(25-28-14-29-31-25)12-18(13-22(24)32)17-6-9-26-10-7-17/h3-14H,1-2H3,(H,28,29,31)
InChIKeyOKOCRMAJJWTRKB-UHFFFAOYSA-N
XLogP5.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The IUPAC name of 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline (CID 134372991) is 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline.
What is the SMILES notation for 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The canonical SMILES for 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline is Cc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(-c5ccncc5)cc43)c12.
What is the InChIKey of 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
The InChIKey is OKOCRMAJJWTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7/c1-15-4-3-5-20-23(15)21(8-11-27-20)32-16(2)30-24-19(25-28-14-29-31-25)12-18(13-22(24)32)17-6-9-26-10-7-17/h3-14H,1-2H3,(H,28,29,31).
What are the key properties of 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline?
5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline has a molecular weight of 417.48 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline is sourced from PubChem (CID 134372991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).