2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one

C16H18N4O2S — CID 146025346

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(CSc3nc(C(C)C)cc(=O)[nH]3)[nH]c2c1
InChIInChI=1S/C16H18N4O2S/c1-9(2)12-7-15(21)20-16(19-12)23-8-14-17-11-5-4-10(22-3)6-13(11)18-14/h4-7,9H,8H2,1-3H3,(H,17,18)(H,19,20,21)
InChIKeyFHZFCYGEAUORFG-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.07
Rot. Bonds5

About 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 146025346) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID146025346
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(CSc3nc(C(C)C)cc(=O)[nH]3)[nH]c2c1
InChIInChI=1S/C16H18N4O2S/c1-9(2)12-7-15(21)20-16(19-12)23-8-14-17-11-5-4-10(22-3)6-13(11)18-14/h4-7,9H,8H2,1-3H3,(H,17,18)(H,19,20,21)
InChIKeyFHZFCYGEAUORFG-UHFFFAOYSA-N
XLogP3.07
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135600161
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4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135413027
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70740746
5-(2-chlorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42976450
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(phenoxymethyl)-1H-pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 146025346) is 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one is COc1ccc2nc(CSc3nc(C(C)C)cc(=O)[nH]3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FHZFCYGEAUORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9(2)12-7-15(21)20-16(19-12)23-8-14-17-11-5-4-10(22-3)6-13(11)18-14/h4-7,9H,8H2,1-3H3,(H,17,18)(H,19,20,21).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 330.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 146025346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).