N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide

C29H28N4O2 — CID 70312590

IUPACN-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
SMILESCC(C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C29H28N4O2/c1-21(22-11-5-2-6-12-22)28(35)32(25-17-18-25)20-27(34)31-29-30-26(23-13-7-3-8-14-23)19-33(29)24-15-9-4-10-16-24/h2-16,19,21,25H,17-18,20H2,1H3,(H,30,31,34)
InChIKeyNPMIKKBJRQPFAY-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.27
Rot. Bonds8

About N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide

N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide (PubChem CID 70312590) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
PubChem CID70312590
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
SMILESCC(C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C29H28N4O2/c1-21(22-11-5-2-6-12-22)28(35)32(25-17-18-25)20-27(34)31-29-30-26(23-13-7-3-8-14-23)19-33(29)24-15-9-4-10-16-24/h2-16,19,21,25H,17-18,20H2,1H3,(H,30,31,34)
InChIKeyNPMIKKBJRQPFAY-UHFFFAOYSA-N
XLogP5.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide?
The IUPAC name of N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide (CID 70312590) is N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide is CC(C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide?
The InChIKey is NPMIKKBJRQPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-21(22-11-5-2-6-12-22)28(35)32(25-17-18-25)20-27(34)31-29-30-26(23-13-7-3-8-14-23)19-33(29)24-15-9-4-10-16-24/h2-16,19,21,25H,17-18,20H2,1H3,(H,30,31,34).
What are the key properties of N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide?
N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide has a molecular weight of 464.57 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide is sourced from PubChem (CID 70312590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).