N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

C20H24N6O2 — CID 146110234

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1nncn1-c1ccccc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H24N6O2/c27-18-11-15(12-25-9-8-21-13-25)10-17(18)23-20(28)7-6-19-24-22-14-26(19)16-4-2-1-3-5-16/h1-5,8-9,13-15,17-18,27H,6-7,10-12H2,(H,23,28)/t15?,17-,18-/m1/s1
InChIKeyUTUKBKVPWUFLAR-HSFDIDPMSA-N
MW380.45 g/mol
LogP1.35
Rot. Bonds7

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 146110234) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID146110234
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESO=C(CCc1nncn1-c1ccccc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H24N6O2/c27-18-11-15(12-25-9-8-21-13-25)10-17(18)23-20(28)7-6-19-24-22-14-26(19)16-4-2-1-3-5-16/h1-5,8-9,13-15,17-18,27H,6-7,10-12H2,(H,23,28)/t15?,17-,18-/m1/s1
InChIKeyUTUKBKVPWUFLAR-HSFDIDPMSA-N
XLogP1.35
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 146110234) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is O=C(CCc1nncn1-c1ccccc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is UTUKBKVPWUFLAR-HSFDIDPMSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-18-11-15(12-25-9-8-21-13-25)10-17(18)23-20(28)7-6-19-24-22-14-26(19)16-4-2-1-3-5-16/h1-5,8-9,13-15,17-18,27H,6-7,10-12H2,(H,23,28)/t15?,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 146110234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).