1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide

C21H22N4O2 — CID 10155552

IUPAC1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-24-19(17-10-6-3-7-11-17)18(16-8-4-2-5-9-16)22-20(24)21(26)23-25-12-14-27-15-13-25/h2-11H,12-15H2,1H3,(H,23,26)
InChIKeyUGJWYCSFPUFRTC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.73
Rot. Bonds4

About 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide

1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide (PubChem CID 10155552) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide
PubChem CID10155552
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-24-19(17-10-6-3-7-11-17)18(16-8-4-2-5-9-16)22-20(24)21(26)23-25-12-14-27-15-13-25/h2-11H,12-15H2,1H3,(H,23,26)
InChIKeyUGJWYCSFPUFRTC-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide (CID 10155552) is 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide is Cn1c(C(=O)NN2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide?
The InChIKey is UGJWYCSFPUFRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-19(17-10-6-3-7-11-17)18(16-8-4-2-5-9-16)22-20(24)21(26)23-25-12-14-27-15-13-25/h2-11H,12-15H2,1H3,(H,23,26).
What are the key properties of 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide?
1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-morpholin-4-yl-4,5-diphenylimidazole-2-carboxamide is sourced from PubChem (CID 10155552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).