2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole

C14H13ClN4S — CID 63731224

IUPAC2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
SMILESCCCc1c(Cl)ncnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4S/c1-2-5-9-12(15)16-8-17-13(9)20-14-18-10-6-3-4-7-11(10)19-14/h3-4,6-8H,2,5H2,1H3,(H,18,19)
InChIKeyNBBVQDMGYFLPRC-UHFFFAOYSA-N
MW304.81 g/mol
LogP4.11
Rot. Bonds4

About 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole

2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole (PubChem CID 63731224) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
PubChem CID63731224
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
SMILESCCCc1c(Cl)ncnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4S/c1-2-5-9-12(15)16-8-17-13(9)20-14-18-10-6-3-4-7-11(10)19-14/h3-4,6-8H,2,5H2,1H3,(H,18,19)
InChIKeyNBBVQDMGYFLPRC-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63730604
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
CID 63728559
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 63586553
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621
4-(1H-benzimidazol-2-ylsulfanyl)-2-chloro-6,7-dimethoxyquinazoline
CID 22693189
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole?
The IUPAC name of 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole (CID 63731224) is 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole is CCCc1c(Cl)ncnc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole?
The InChIKey is NBBVQDMGYFLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-2-5-9-12(15)16-8-17-13(9)20-14-18-10-6-3-4-7-11(10)19-14/h3-4,6-8H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole?
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole has a molecular weight of 304.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole is sourced from PubChem (CID 63731224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).