N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide

C22H25N5O4 — CID 53164378

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccnc2-c2ccnc(N3CCOCC3)c2)cc1OC
InChIInChI=1S/C22H25N5O4/c1-29-18-4-3-17(14-19(18)30-2)25-21(28)15-27-8-7-24-22(27)16-5-6-23-20(13-16)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,28)
InChIKeyVTRVTPKCWBYYLY-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.44
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide (PubChem CID 53164378) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
PubChem CID53164378
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccnc2-c2ccnc(N3CCOCC3)c2)cc1OC
InChIInChI=1S/C22H25N5O4/c1-29-18-4-3-17(14-19(18)30-2)25-21(28)15-27-8-7-24-22(27)16-5-6-23-20(13-16)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,28)
InChIKeyVTRVTPKCWBYYLY-UHFFFAOYSA-N
XLogP2.44
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide (CID 53164378) is N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2ccnc2-c2ccnc(N3CCOCC3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide?
The InChIKey is VTRVTPKCWBYYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-29-18-4-3-17(14-19(18)30-2)25-21(28)15-27-8-7-24-22(27)16-5-6-23-20(13-16)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(2-morpholin-4-yl-4-pyridinyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53164378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).