5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide

C25H24N4O — CID 23042527

IUPAC5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide
SMILESCCCn1c(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C25H24N4O/c1-2-18-29-22(25(30)27-21-16-10-5-11-17-21)23(26-20-14-8-4-9-15-20)28-24(29)19-12-6-3-7-13-19/h3-17,26H,2,18H2,1H3,(H,27,30)
InChIKeyFWVPWOHXTFCSKA-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.96
Rot. Bonds7

About 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide

5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide (PubChem CID 23042527) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide
PubChem CID23042527
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide
SMILESCCCn1c(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C25H24N4O/c1-2-18-29-22(25(30)27-21-16-10-5-11-17-21)23(26-20-14-8-4-9-15-20)28-24(29)19-12-6-3-7-13-19/h3-17,26H,2,18H2,1H3,(H,27,30)
InChIKeyFWVPWOHXTFCSKA-UHFFFAOYSA-N
XLogP5.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide?
The IUPAC name of 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide (CID 23042527) is 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide?
The canonical SMILES for 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide is CCCn1c(-c2ccccc2)nc(Nc2ccccc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide?
The InChIKey is FWVPWOHXTFCSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-2-18-29-22(25(30)27-21-16-10-5-11-17-21)23(26-20-14-8-4-9-15-20)28-24(29)19-12-6-3-7-13-19/h3-17,26H,2,18H2,1H3,(H,27,30).
What are the key properties of 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide?
5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N,2-diphenyl-3-propylimidazole-4-carboxamide is sourced from PubChem (CID 23042527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).