2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide

C16H21ClN4O4 — CID 18662764

IUPAC2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide
SMILESC[C@H]1O[C@@H](N2CN(C(C(N)=O)c3ccc(Cl)cc3)C=C2N)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H21ClN4O4/c1-8-13(22)14(23)16(25-8)21-7-20(6-11(21)18)12(15(19)24)9-2-4-10(17)5-3-9/h2-6,8,12-14,16,22-23H,7,18H2,1H3,(H2,19,24)/t8-,12?,13-,14-,16-/m1/s1
InChIKeyMKCPFIPMVGFPSE-SXWFDICLSA-N
MW368.82 g/mol
LogP-0.33
Rot. Bonds4

About 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide

2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 18662764) has the molecular formula C16H21ClN4O4 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide
PubChem CID18662764
Molecular FormulaC16H21ClN4O4
Molecular Weight368.82 g/mol
Exact Mass368.13
IUPAC Name2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide
SMILESC[C@H]1O[C@@H](N2CN(C(C(N)=O)c3ccc(Cl)cc3)C=C2N)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H21ClN4O4/c1-8-13(22)14(23)16(25-8)21-7-20(6-11(21)18)12(15(19)24)9-2-4-10(17)5-3-9/h2-6,8,12-14,16,22-23H,7,18H2,1H3,(H2,19,24)/t8-,12?,13-,14-,16-/m1/s1
InChIKeyMKCPFIPMVGFPSE-SXWFDICLSA-N
XLogP-0.33
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide (CID 18662764) is 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide is C[C@H]1O[C@@H](N2CN(C(C(N)=O)c3ccc(Cl)cc3)C=C2N)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is MKCPFIPMVGFPSE-SXWFDICLSA-N. The full InChI is InChI=1S/C16H21ClN4O4/c1-8-13(22)14(23)16(25-8)21-7-20(6-11(21)18)12(15(19)24)9-2-4-10(17)5-3-9/h2-6,8,12-14,16,22-23H,7,18H2,1H3,(H2,19,24)/t8-,12?,13-,14-,16-/m1/s1.
What are the key properties of 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide?
2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 368.82 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2H-imidazol-1-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 18662764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).