2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole

C12H13N5O — CID 139019671

IUPAC2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
SMILESCOCc1cn(Cc2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C12H13N5O/c1-18-8-9-6-17(16-15-9)7-12-13-10-4-2-3-5-11(10)14-12/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyIVBTUMSOUIVZFT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.35
Rot. Bonds4

About 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole

2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole (PubChem CID 139019671) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
PubChem CID139019671
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
SMILESCOCc1cn(Cc2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C12H13N5O/c1-18-8-9-6-17(16-15-9)7-12-13-10-4-2-3-5-11(10)14-12/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyIVBTUMSOUIVZFT-UHFFFAOYSA-N
XLogP1.35
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 62400589
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CID 66191856
3-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]-1,1-dimethylurea
CID 154782280
1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
CID 50878272
2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
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1-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580521
tert-butyl 4-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methylsulfanylcarbothioyl]piperazine-1-carboxylate
CID 72713540
3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 66193670
2-[(2,4-dimethylimidazol-1-yl)methyl]-1H-benzimidazole
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2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
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1H-benzimidazol-2-ylmethanamine;hydrate
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CID 68768079

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole (CID 139019671) is 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole is COCc1cn(Cc2nc3ccccc3[nH]2)nn1.
What is the InChIKey of 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole?
The InChIKey is IVBTUMSOUIVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-8-9-6-17(16-15-9)7-12-13-10-4-2-3-5-11(10)14-12/h2-6H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole?
2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole has a molecular weight of 243.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 139019671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).