2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide

C17H22N4O3 — CID 70334994

IUPAC2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC1(CC(=O)NCC2CC2)N=C(N)N(Cc2cccc(O)c2)C1=O
InChIInChI=1S/C17H22N4O3/c1-17(8-14(23)19-9-11-5-6-11)15(24)21(16(18)20-17)10-12-3-2-4-13(22)7-12/h2-4,7,11,22H,5-6,8-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyZHRBVHKXOOMWDQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide

2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 70334994) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID70334994
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC1(CC(=O)NCC2CC2)N=C(N)N(Cc2cccc(O)c2)C1=O
InChIInChI=1S/C17H22N4O3/c1-17(8-14(23)19-9-11-5-6-11)15(24)21(16(18)20-17)10-12-3-2-4-13(22)7-12/h2-4,7,11,22H,5-6,8-10H2,1H3,(H2,18,20)(H,19,23)
InChIKeyZHRBVHKXOOMWDQ-UHFFFAOYSA-N
XLogP0.72
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide (CID 70334994) is 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide is CC1(CC(=O)NCC2CC2)N=C(N)N(Cc2cccc(O)c2)C1=O.
What is the InChIKey of 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ZHRBVHKXOOMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(8-14(23)19-9-11-5-6-11)15(24)21(16(18)20-17)10-12-3-2-4-13(22)7-12/h2-4,7,11,22H,5-6,8-10H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide?
2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 70334994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).