N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

C21H30N4O3 — CID 53181535

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-8-10-24(3)11-9-17)21(26)22-13-16-6-7-18(27-4)12-19(16)28-5/h6-7,12,17H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyHHQDINADUDVVBV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.71
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (PubChem CID 53181535) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
PubChem CID53181535
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-8-10-24(3)11-9-17)21(26)22-13-16-6-7-18(27-4)12-19(16)28-5/h6-7,12,17H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyHHQDINADUDVVBV-UHFFFAOYSA-N
XLogP2.71
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide (CID 53181535) is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(C)n(C3CCN(C)CC3)c2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
The InChIKey is HHQDINADUDVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-20(23-15(2)25(14)17-8-10-24(3)11-9-17)21(26)22-13-16-6-7-18(27-4)12-19(16)28-5/h6-7,12,17H,8-11,13H2,1-5H3,(H,22,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53181535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).