N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide

C20H23N5O2 — CID 146110372

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H23N5O2/c26-19-10-16(12-24-7-5-21-13-24)9-18(19)23-20(27)11-15-1-3-17(4-2-15)25-8-6-22-14-25/h1-8,13-14,16,18-19,26H,9-12H2,(H,23,27)/t16?,18-,19-/m1/s1
InChIKeyLVMMPXSCGLEWBU-VOBHOPKGSA-N
MW365.44 g/mol
LogP1.57
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 146110372) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
PubChem CID146110372
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2ccnc2)cc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C20H23N5O2/c26-19-10-16(12-24-7-5-21-13-24)9-18(19)23-20(27)11-15-1-3-17(4-2-15)25-8-6-22-14-25/h1-8,13-14,16,18-19,26H,9-12H2,(H,23,27)/t16?,18-,19-/m1/s1
InChIKeyLVMMPXSCGLEWBU-VOBHOPKGSA-N
XLogP1.57
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
3-(2,6-dimethyl-4-pyridinyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110487
3-(3-bromophenyl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146153989
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 146110234
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
CID 154800108
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]-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 167800069
3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110184
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 146110347
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110207
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide (CID 146110372) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2ccnc2)cc1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is LVMMPXSCGLEWBU-VOBHOPKGSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19-10-16(12-24-7-5-21-13-24)9-18(19)23-20(27)11-15-1-3-17(4-2-15)25-8-6-22-14-25/h1-8,13-14,16,18-19,26H,9-12H2,(H,23,27)/t16?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 146110372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).