1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea

C19H25N5O3 — CID 60569650

IUPAC1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCCCn2ccnc2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H25N5O3/c1-15-16(18(25)24-10-12-27-13-11-24)4-2-5-17(15)22-19(26)21-6-3-8-23-9-7-20-14-23/h2,4-5,7,9,14H,3,6,8,10-13H2,1H3,(H2,21,22,26)
InChIKeySIWPDJBMZVFZEB-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.88
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea

1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 60569650) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID60569650
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1c(NC(=O)NCCCn2ccnc2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H25N5O3/c1-15-16(18(25)24-10-12-27-13-11-24)4-2-5-17(15)22-19(26)21-6-3-8-23-9-7-20-14-23/h2,4-5,7,9,14H,3,6,8,10-13H2,1H3,(H2,21,22,26)
InChIKeySIWPDJBMZVFZEB-UHFFFAOYSA-N
XLogP1.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
1-(3-chloro-2-methylsulfanylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 75374612
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea (CID 60569650) is 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is Cc1c(NC(=O)NCCCn2ccnc2)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is SIWPDJBMZVFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-15-16(18(25)24-10-12-27-13-11-24)4-2-5-17(15)22-19(26)21-6-3-8-23-9-7-20-14-23/h2,4-5,7,9,14H,3,6,8,10-13H2,1H3,(H2,21,22,26).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea?
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 371.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 60569650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).