1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

C24H27N5O3 — CID 97257375

IUPAC1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H27N5O3/c1-2-20(22-25-16-21(27-22)17-6-4-3-5-7-17)28-24(31)26-19-10-8-18(9-11-19)23(30)29-12-14-32-15-13-29/h3-11,16,20H,2,12-15H2,1H3,(H,25,27)(H2,26,28,31)/t20-/m1/s1
InChIKeyUIZSTHPKYFDKDC-HXUWFJFHSA-N
MW433.51 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (PubChem CID 97257375) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
PubChem CID97257375
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H27N5O3/c1-2-20(22-25-16-21(27-22)17-6-4-3-5-7-17)28-24(31)26-19-10-8-18(9-11-19)23(30)29-12-14-32-15-13-29/h3-11,16,20H,2,12-15H2,1H3,(H,25,27)(H2,26,28,31)/t20-/m1/s1
InChIKeyUIZSTHPKYFDKDC-HXUWFJFHSA-N
XLogP3.82
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (CID 97257375) is 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is CC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The InChIKey is UIZSTHPKYFDKDC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-20(22-25-16-21(27-22)17-6-4-3-5-7-17)28-24(31)26-19-10-8-18(9-11-19)23(30)29-12-14-32-15-13-29/h3-11,16,20H,2,12-15H2,1H3,(H,25,27)(H2,26,28,31)/t20-/m1/s1.
What are the key properties of 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea has a molecular weight of 433.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)phenyl]-3-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 97257375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).