5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide

C20H20ClN5O2 — CID 146110603

IUPAC5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ncncc1Cl
InChIInChI=1S/C20H20ClN5O2/c21-15-10-22-12-24-18(15)20(28)25-16-8-13(9-17(16)27)11-26-7-6-23-19(26)14-4-2-1-3-5-14/h1-7,10,12-13,16-17,27H,8-9,11H2,(H,25,28)/t13?,16-,17-/m1/s1
InChIKeyLPPJCLHAGLOMAD-SYFTWWQRSA-N
MW397.87 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide

5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide (PubChem CID 146110603) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide
PubChem CID146110603
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ncncc1Cl
InChIInChI=1S/C20H20ClN5O2/c21-15-10-22-12-24-18(15)20(28)25-16-8-13(9-17(16)27)11-26-7-6-23-19(26)14-4-2-1-3-5-14/h1-7,10,12-13,16-17,27H,8-9,11H2,(H,25,28)/t13?,16-,17-/m1/s1
InChIKeyLPPJCLHAGLOMAD-SYFTWWQRSA-N
XLogP2.56
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide
CID 154802839
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide
CID 146110580
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methylfuran-3-carboxamide
CID 146110617
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide
CID 146110575
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
CID 146110636
trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
CID 154803272
trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167968281
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-(5-methylfuran-2-yl)acetamide
CID 146110609
trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 146153846
trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167799613
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-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide (CID 146110603) is 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide?
The InChIKey is LPPJCLHAGLOMAD-SYFTWWQRSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-15-10-22-12-24-18(15)20(28)25-16-8-13(9-17(16)27)11-26-7-6-23-19(26)14-4-2-1-3-5-14/h1-7,10,12-13,16-17,27H,8-9,11H2,(H,25,28)/t13?,16-,17-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide?
5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 146110603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).