N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide

C18H18N4O — CID 95120692

IUPACN-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(-n2ccnc2-c2ccccn2)cc1
InChIInChI=1S/C18H18N4O/c1-13(21-14(2)23)15-6-8-16(9-7-15)22-12-11-20-18(22)17-5-3-4-10-19-17/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyCZCIEWUWNGKSKT-CYBMUJFWSA-N
MW306.37 g/mol
LogP3.13
Rot. Bonds4

About N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide

N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 95120692) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide
PubChem CID95120692
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(-n2ccnc2-c2ccccn2)cc1
InChIInChI=1S/C18H18N4O/c1-13(21-14(2)23)15-6-8-16(9-7-15)22-12-11-20-18(22)17-5-3-4-10-19-17/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyCZCIEWUWNGKSKT-CYBMUJFWSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide (CID 95120692) is N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide is CC(=O)N[C@H](C)c1ccc(-n2ccnc2-c2ccccn2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is CZCIEWUWNGKSKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(21-14(2)23)15-6-8-16(9-7-15)22-12-11-20-18(22)17-5-3-4-10-19-17/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide?
N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 95120692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).