3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide

C19H22N6O2 — CID 146110319

IUPAC3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cnnn1Cc1ccccc1
InChIInChI=1S/C19H22N6O2/c26-18-9-15(11-24-7-6-20-13-24)8-16(18)22-19(27)17-10-21-23-25(17)12-14-4-2-1-3-5-14/h1-7,10,13,15-16,18,26H,8-9,11-12H2,(H,22,27)/t15?,16-,18-/m1/s1
InChIKeyVMZMRLRVEXHSRY-WOEZKJSCSA-N
MW366.43 g/mol
LogP1.09
Rot. Bonds6

About 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide

3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide (PubChem CID 146110319) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
PubChem CID146110319
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cnnn1Cc1ccccc1
InChIInChI=1S/C19H22N6O2/c26-18-9-15(11-24-7-6-20-13-24)8-16(18)22-19(27)17-10-21-23-25(17)12-14-4-2-1-3-5-14/h1-7,10,13,15-16,18,26H,8-9,11-12H2,(H,22,27)/t15?,16-,18-/m1/s1
InChIKeyVMZMRLRVEXHSRY-WOEZKJSCSA-N
XLogP1.09
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide (CID 146110319) is 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cnnn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide?
The InChIKey is VMZMRLRVEXHSRY-WOEZKJSCSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-18-9-15(11-24-7-6-20-13-24)8-16(18)22-19(27)17-10-21-23-25(17)12-14-4-2-1-3-5-14/h1-7,10,13,15-16,18,26H,8-9,11-12H2,(H,22,27)/t15?,16-,18-/m1/s1.
What are the key properties of 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide?
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide is sourced from PubChem (CID 146110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).