N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine

C20H16N6 — CID 108778767

IUPACN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3ccccc3[nH]2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H16N6/c1-13-12-19(24-20-22-16-8-4-5-9-17(16)23-20)26(25-13)18-11-10-14-6-2-3-7-15(14)21-18/h2-12H,1H3,(H2,22,23,24)
InChIKeyUKCPFVPDVYHPIQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.35
Rot. Bonds3

About N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine

N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine (PubChem CID 108778767) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
PubChem CID108778767
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC NameN-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3ccccc3[nH]2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H16N6/c1-13-12-19(24-20-22-16-8-4-5-9-17(16)23-20)26(25-13)18-11-10-14-6-2-3-7-15(14)21-18/h2-12H,1H3,(H2,22,23,24)
InChIKeyUKCPFVPDVYHPIQ-UHFFFAOYSA-N
XLogP4.35
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 108778770
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine
CID 3591179
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine (CID 108778767) is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine is Cc1cc(Nc2nc3ccccc3[nH]2)n(-c2ccc3ccccc3n2)n1.
What is the InChIKey of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine?
The InChIKey is UKCPFVPDVYHPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-13-12-19(24-20-22-16-8-4-5-9-17(16)23-20)26(25-13)18-11-10-14-6-2-3-7-15(14)21-18/h2-12H,1H3,(H2,22,23,24).
What are the key properties of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine?
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine has a molecular weight of 340.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 108778767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).