2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol

C12H13N5O — CID 62400589

IUPAC2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C12H13N5O/c18-6-5-9-7-17(16-15-9)8-12-13-10-3-1-2-4-11(10)14-12/h1-4,7,18H,5-6,8H2,(H,13,14)
InChIKeyLKVSIWSGTMBHJJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.74
Rot. Bonds4

About 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol

2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol (PubChem CID 62400589) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
PubChem CID62400589
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C12H13N5O/c18-6-5-9-7-17(16-15-9)8-12-13-10-3-1-2-4-11(10)14-12/h1-4,7,18H,5-6,8H2,(H,13,14)
InChIKeyLKVSIWSGTMBHJJ-UHFFFAOYSA-N
XLogP0.74
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
CID 139019671
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
3-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]-1,1-dimethylurea
CID 154782280
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
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
CID 87640795
CID 87640795
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 66193670
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol (CID 62400589) is 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol is OCCc1cn(Cc2nc3ccccc3[nH]2)nn1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol?
The InChIKey is LKVSIWSGTMBHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-6-5-9-7-17(16-15-9)8-12-13-10-3-1-2-4-11(10)14-12/h1-4,7,18H,5-6,8H2,(H,13,14).
What are the key properties of 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol?
2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol has a molecular weight of 243.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62400589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).