2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide

C20H20FN5O2 — CID 146110287

IUPAC2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2cncnc2)cc1F
InChIInChI=1S/C20H20FN5O2/c21-17-7-14(15-8-23-11-24-9-15)1-2-16(17)20(28)25-18-5-13(6-19(18)27)10-26-4-3-22-12-26/h1-4,7-9,11-13,18-19,27H,5-6,10H2,(H,25,28)/t13?,18-,19-/m1/s1
InChIKeyNCCTWUSPFXBUFW-GFWLXOEUSA-N
MW381.41 g/mol
LogP2.05
Rot. Bonds5

About 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide

2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide (PubChem CID 146110287) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide
PubChem CID146110287
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2cncnc2)cc1F
InChIInChI=1S/C20H20FN5O2/c21-17-7-14(15-8-23-11-24-9-15)1-2-16(17)20(28)25-18-5-13(6-19(18)27)10-26-4-3-22-12-26/h1-4,7-9,11-13,18-19,27H,5-6,10H2,(H,25,28)/t13?,18-,19-/m1/s1
InChIKeyNCCTWUSPFXBUFW-GFWLXOEUSA-N
XLogP2.05
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide (CID 146110287) is 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(-c2cncnc2)cc1F.
What is the InChIKey of 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide?
The InChIKey is NCCTWUSPFXBUFW-GFWLXOEUSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-17-7-14(15-8-23-11-24-9-15)1-2-16(17)20(28)25-18-5-13(6-19(18)27)10-26-4-3-22-12-26/h1-4,7-9,11-13,18-19,27H,5-6,10H2,(H,25,28)/t13?,18-,19-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide?
2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide has a molecular weight of 381.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 146110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).