2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline

C22H16N4 — CID 56953508

IUPAC2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccc2ccccc2n1
InChIInChI=1S/C22H16N4/c1-15-11-12-23-13-18(15)17-6-4-8-20-22(17)24-14-26(20)21-10-9-16-5-2-3-7-19(16)25-21/h2-14H,1H3
InChIKeyITMVSZYVVBDEMN-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.94
Rot. Bonds2

About 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline

2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline (PubChem CID 56953508) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline
PubChem CID56953508
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline
SMILESCc1ccncc1-c1cccc2c1ncn2-c1ccc2ccccc2n1
InChIInChI=1S/C22H16N4/c1-15-11-12-23-13-18(15)17-6-4-8-20-22(17)24-14-26(20)21-10-9-16-5-2-3-7-19(16)25-21/h2-14H,1H3
InChIKeyITMVSZYVVBDEMN-UHFFFAOYSA-N
XLogP4.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline?
The IUPAC name of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline (CID 56953508) is 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline.
What is the SMILES notation for 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline?
The canonical SMILES for 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline is Cc1ccncc1-c1cccc2c1ncn2-c1ccc2ccccc2n1.
What is the InChIKey of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline?
The InChIKey is ITMVSZYVVBDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-15-11-12-23-13-18(15)17-6-4-8-20-22(17)24-14-26(20)21-10-9-16-5-2-3-7-19(16)25-21/h2-14H,1H3.
What are the key properties of 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline?
2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline has a molecular weight of 336.40 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-3-pyridinyl)benzimidazol-1-yl]quinoline is sourced from PubChem (CID 56953508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).