3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

C14H14N4O — CID 943730

IUPAC3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1coc(CN2CNc3nc4ccccc4n3C2)c1
InChIInChI=1S/C14H14N4O/c1-2-6-13-12(5-1)16-14-15-9-17(10-18(13)14)8-11-4-3-7-19-11/h1-7H,8-10H2,(H,15,16)
InChIKeyHTINLMSMKJKWKV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds2

About 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 943730) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID943730
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1coc(CN2CNc3nc4ccccc4n3C2)c1
InChIInChI=1S/C14H14N4O/c1-2-6-13-12(5-1)16-14-15-9-17(10-18(13)14)8-11-4-3-7-19-11/h1-7H,8-10H2,(H,15,16)
InChIKeyHTINLMSMKJKWKV-UHFFFAOYSA-N
XLogP2.47
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
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N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
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2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
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1H-Benzimidazole, 2-(5-bromo-2-furanyl)-1-methyl-
CID 665033
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
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2-(5-Methyl-2-furyl)benzimidazole
CID 827976

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (CID 943730) is 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is c1coc(CN2CNc3nc4ccccc4n3C2)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is HTINLMSMKJKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-6-13-12(5-1)16-14-15-9-17(10-18(13)14)8-11-4-3-7-19-11/h1-7H,8-10H2,(H,15,16).
What are the key properties of 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 254.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 943730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).