2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride

C15H14ClN5S — CID 126477669

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
SMILESCc1ccc2nc(SCc3cn4cccnc4n3)[nH]c2c1.Cl
InChIInChI=1S/C15H13N5S.ClH/c1-10-3-4-12-13(7-10)19-15(18-12)21-9-11-8-20-6-2-5-16-14(20)17-11;/h2-8H,9H2,1H3,(H,18,19);1H
InChIKeyOUGWVZLFEZHYLM-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.63
Rot. Bonds3

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride (PubChem CID 126477669) has the molecular formula C15H14ClN5S and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
PubChem CID126477669
Molecular FormulaC15H14ClN5S
Molecular Weight331.83 g/mol
Exact Mass331.07
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
SMILESCc1ccc2nc(SCc3cn4cccnc4n3)[nH]c2c1.Cl
InChIInChI=1S/C15H13N5S.ClH/c1-10-3-4-12-13(7-10)19-15(18-12)21-9-11-8-20-6-2-5-16-14(20)17-11;/h2-8H,9H2,1H3,(H,18,19);1H
InChIKeyOUGWVZLFEZHYLM-UHFFFAOYSA-N
XLogP3.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4226828
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 137316118
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 3631724
N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62875618
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613957

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride (CID 126477669) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride is Cc1ccc2nc(SCc3cn4cccnc4n3)[nH]c2c1.Cl.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The InChIKey is OUGWVZLFEZHYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S.ClH/c1-10-3-4-12-13(7-10)19-15(18-12)21-9-11-8-20-6-2-5-16-14(20)17-11;/h2-8H,9H2,1H3,(H,18,19);1H.
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride has a molecular weight of 331.83 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 126477669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).