[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

C15H16N6O2 — CID 138037943

IUPAC[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)ccc21
InChIInChI=1S/C15H16N6O2/c1-19-9-16-11-6-10(2-3-12(11)19)15(23)20-7-13(14(22)8-20)21-5-4-17-18-21/h2-6,9,13-14,22H,7-8H2,1H3/t13-,14-/m1/s1
InChIKeyCHMSHNXJHHGMSQ-ZIAGYGMSSA-N
MW312.33 g/mol
LogP0.22
Rot. Bonds2

About [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 138037943) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID138037943
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)ccc21
InChIInChI=1S/C15H16N6O2/c1-19-9-16-11-6-10(2-3-12(11)19)15(23)20-7-13(14(22)8-20)21-5-4-17-18-21/h2-6,9,13-14,22H,7-8H2,1H3/t13-,14-/m1/s1
InChIKeyCHMSHNXJHHGMSQ-ZIAGYGMSSA-N
XLogP0.22
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 126825261
[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 136586594
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 154768018
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 70720608
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
CID 136554374
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 138037943) is [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is Cn1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccnn4)C3)ccc21.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is CHMSHNXJHHGMSQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-19-9-16-11-6-10(2-3-12(11)19)15(23)20-7-13(14(22)8-20)21-5-4-17-18-21/h2-6,9,13-14,22H,7-8H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 312.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 138037943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).