3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline

C16H13N5 — CID 56904377

IUPAC3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline
SMILESCc1[nH]cnc1-c1nccn1-c1cnc2ccccc2c1
InChIInChI=1S/C16H13N5/c1-11-15(20-10-19-11)16-17-6-7-21(16)13-8-12-4-2-3-5-14(12)18-9-13/h2-10H,1H3,(H,19,20)
InChIKeyOHJNXGSMGPEKAF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.12
Rot. Bonds2

About 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline

3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline (PubChem CID 56904377) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline.

Molecular Properties

Compound Name3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline
PubChem CID56904377
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline
SMILESCc1[nH]cnc1-c1nccn1-c1cnc2ccccc2c1
InChIInChI=1S/C16H13N5/c1-11-15(20-10-19-11)16-17-6-7-21(16)13-8-12-4-2-3-5-14(12)18-9-13/h2-10H,1H3,(H,19,20)
InChIKeyOHJNXGSMGPEKAF-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-propylimidazol-1-yl)quinoline
CID 50972942
1-[3-methoxy-5-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]phenyl]tetrazole
CID 56861022
4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 62781146
3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline
CID 143629037
9-quinolin-3-ylcarbazole
CID 138984974
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
3-[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]quinoline
CID 56897523
3-[(1-phenylimidazol-2-yl)methyl]quinoline
CID 173016746
1-quinolin-3-ylpyrrole-2,5-dione
CID 62783124
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-ethyl-4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 55115405
3-pyridin-4-yl-4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 54581359

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline?
The IUPAC name of 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline (CID 56904377) is 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline.
What is the SMILES notation for 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline?
The canonical SMILES for 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline is Cc1[nH]cnc1-c1nccn1-c1cnc2ccccc2c1.
What is the InChIKey of 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline?
The InChIKey is OHJNXGSMGPEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-11-15(20-10-19-11)16-17-6-7-21(16)13-8-12-4-2-3-5-14(12)18-9-13/h2-10H,1H3,(H,19,20).
What are the key properties of 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline?
3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline has a molecular weight of 275.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline is sourced from PubChem (CID 56904377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).