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

C18H20N6O2 — CID 146110219

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C18H20N6O2/c25-17-7-13(9-23-5-4-19-11-23)6-16(17)22-18(26)14-2-1-3-15(8-14)24-12-20-10-21-24/h1-5,8,10-13,16-17,25H,6-7,9H2,(H,22,26)/t13?,16-,17-/m1/s1
InChIKeyRYZHLNSKLQJUIE-SYFTWWQRSA-N
MW352.40 g/mol
LogP1.03
Rot. Bonds5

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

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 146110219) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID146110219
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C18H20N6O2/c25-17-7-13(9-23-5-4-19-11-23)6-16(17)22-18(26)14-2-1-3-15(8-14)24-12-20-10-21-24/h1-5,8,10-13,16-17,25H,6-7,9H2,(H,22,26)/t13?,16-,17-/m1/s1
InChIKeyRYZHLNSKLQJUIE-SYFTWWQRSA-N
XLogP1.03
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
CID 146110445
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 146110268
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 166286243
2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 166303406
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146110168
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
CID 146110319

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide (CID 146110219) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1cccc(-n2cncn2)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RYZHLNSKLQJUIE-SYFTWWQRSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17-7-13(9-23-5-4-19-11-23)6-16(17)22-18(26)14-2-1-3-15(8-14)24-12-20-10-21-24/h1-5,8,10-13,16-17,25H,6-7,9H2,(H,22,26)/t13?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 352.40 g/mol, XLogP of 1.03, 5 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-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 146110219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).