3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C14H14N6O — CID 121150916

IUPAC3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C14H14N6O/c21-14(10-1-2-12-13(7-10)16-9-15-12)19-5-3-11(8-19)20-6-4-17-18-20/h1-2,4,6-7,9,11H,3,5,8H2,(H,15,16)
InChIKeyVJDPDVFTJFFQPA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds2

About 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150916) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150916
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C14H14N6O/c21-14(10-1-2-12-13(7-10)16-9-15-12)19-5-3-11(8-19)20-6-4-17-18-20/h1-2,4,6-7,9,11H,3,5,8H2,(H,15,16)
InChIKeyVJDPDVFTJFFQPA-UHFFFAOYSA-N
XLogP1.24
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H-benzimidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946356
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150916) is 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(n2ccnn2)C1.
What is the InChIKey of 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VJDPDVFTJFFQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-14(10-1-2-12-13(7-10)16-9-15-12)19-5-3-11(8-19)20-6-4-17-18-20/h1-2,4,6-7,9,11H,3,5,8H2,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 282.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).