2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole

C12H8Cl2N4 — CID 63637718

IUPAC2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
SMILESClc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H8Cl2N4/c13-9-5-10(14)18-12(17-9)6-11-15-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,15,16)
InChIKeyOSNKZKATADRILD-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.25
Rot. Bonds2

About 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole

2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole (PubChem CID 63637718) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
PubChem CID63637718
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
SMILESClc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H8Cl2N4/c13-9-5-10(14)18-12(17-9)6-11-15-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,15,16)
InChIKeyOSNKZKATADRILD-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 63637402
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
2-[(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637567
2-[(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)methyl]-1H-benzimidazole
CID 66294640
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(2-chloro-4-fluorophenyl)methyl]-1H-benzimidazole
CID 54469755
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 66293043
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
CID 58296357
CID 58296357
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole (CID 63637718) is 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole is Clc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole?
The InChIKey is OSNKZKATADRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-9-5-10(14)18-12(17-9)6-11-15-7-3-1-2-4-8(7)16-11/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole?
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole has a molecular weight of 279.13 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 63637718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).